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09.23.14/CGFF/343K_100/iter0_2ndquarter/save.g_cnt.dat 8536 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_2ndquarter/save.rescale.dat 4216 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/ 282920 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/343K_100.tpr 1860 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 7707 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/S.dat 7707 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/S_CONST.dat 1860 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 333110 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/cgff-PEO_343K_100.o3789892 1860 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 1860 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 1860 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/inp.txt 41615 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/log.txt 2607 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/out.total.txt 1742 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/par.txt 2065 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/qsub.sh 2060 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.FF.dat 7562 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.L.dat 1538624 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.M.dat 1508619 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.M2.dat 1757834 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.Nf.dat 7562 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.b_forces.dat 7769 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.b_struct.dat 1508619 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.d2M.dat 7562 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.d2b.dat 7876 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.g.dat 8543 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.g_cnt.dat 8543 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/save.rescale.dat 4216 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/ 282920 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/343K_100.tpr 1736 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 7623 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/S.dat 7623 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/S_CONST.dat 1736 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 333302 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/cgff-PEO_343K_100.o3789893 1736 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 1736 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 1736 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/inp.txt 41527 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/log.txt 2607 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/out.total.txt 1742 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/par.txt 2065 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/qsub.sh 2060 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.FF.dat 7562 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.L.dat 1538034 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.M.dat 1508619 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.M2.dat 1755706 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.Nf.dat 7562 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.b_forces.dat 7769 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.b_struct.dat 1508619 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.d2M.dat 7562 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.d2b.dat 7875 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.g.dat 8543 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.g_cnt.dat 8543 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/save.rescale.dat 4216 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_4thquarter/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/ 282920 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/343K_100.tpr 7791 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/S.dat 7791 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/S_CONST.dat 1979 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/average_save_states.py 792 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgff-PEO_343K_100.o3798037 0 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/ 0 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/ 6136 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 262486 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/343K_100.1frame.gro 262485 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/343K_100.Emin.gro 2046 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/343K_100.Emin.mdp 162628 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/343K_100.edr 1391 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/343K_100.top 306228 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/343K_100.tpr 280100 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/343K_100.trr 104 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/cgPEO_343K_100_Emin.o3798046 3250 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/grompp.log 82987 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/index.ndx 10387 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/mdout-343K_100.mdp 148270 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/mdrun.log 544 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/mol_types_343K_100.itp 227 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2102 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/table.xvg 58339 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58694 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58326 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10076 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/ 7417 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2026 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/343K_100.Equil.mdp 402453 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/343K_100.confout.gro 49460 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/343K_100.edr 1391 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/343K_100.top 306228 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/343K_100.tpr 21423468 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/343K_100.trr 375 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/cgPEO_343K_100_Equil.o3798049 3341 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/grompp.log 82987 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/index.ndx 10370 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/mdout-343K_100.mdp 34665 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/mdrun.log 544 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/mol_types_343K_100.itp 229 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2112 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/run_gmx.sh 461928 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/state.cpt 461928 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/table.xvg 58339 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58694 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58326 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10076 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 10:30 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/ 7453 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 402453 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/343K_100.confout.gro 4821260 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/343K_100.edr 2030 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/343K_100.mdp 1391 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/343K_100.top 306228 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/343K_100.tpr 2100760068 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/343K_100.trr 295651 05-27-2015 10:30 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 10:30 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1083 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/bonds.xvg 895 05-27-2015 10:30 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1907 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 360 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/cgPEO_343K_100_Prodrun.o3798108 6295 05-27-2015 10:30 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026483 25890 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3799358 94019 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/distance.xvg 3401 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/grompp.log 82987 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/index.ndx 10366 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/mdout-343K_100.mdp 1812602 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/mdrun.log 544 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/mol_types_343K_100.itp 231 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:17 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 31990 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 31989 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 31992 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2110 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 461928 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/state.cpt 461928 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/table.xvg 58339 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58694 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58326 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10076 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/ 394 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/copy_forces.sh 3193 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/f_SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/f_SS.dat 1705 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/f_bond.dat 1705 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/f_zero.dat 1069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/table.xvg 58339 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/table_Na_Na.xvg 58694 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/table_S_Na.xvg 58326 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/table_S_S.xvg 10076 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/edit/table_b0.xvg 1953 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 1953 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/f_struct.Pair_Interaction.total.SS.dat 99 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/inp.txt 41921 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/log.txt 1695 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/out.total.txt 1797 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/par.txt 2065 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/qsub_xv.sh 18 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.FF.dat 7164 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.L.dat 1460128 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.M.dat 1429218 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.M2.dat 1680440 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.Nf.dat 7164 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.b_forces.dat 7384 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.b_struct.dat 1429218 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.d2M.dat 7164 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.d2b.dat 7475 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.g.dat 8142 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.g_cnt.dat 8142 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/save.rescale.dat 4370 01-30-2015 15:58 09.23.14/CGFF/343K_100/iter0_fromquart/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/ 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/ 212480 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/343K_25.tpr 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/L.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/L.Pair_Interaction.total.CS.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/L.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/L.Pair_Interaction.total.SS.dat 14133 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/S.dat 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/S_CONST.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/b_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/b_struct.Pair_Interaction.total.CS.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/b_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/b_struct.Pair_Interaction.total.SS.dat 352598 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/cgff-PEO_343K_25.o3667586 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/f_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/f_struct.Pair_Interaction.total.CS.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/f_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g.Pair_Interaction.total.CS.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g_cnt.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g_cnt.Pair_Interaction.total.CS.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g_cnt.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/inp.txt 75456 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/log.txt 4557 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/out.total.txt 1731 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.FF.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.L.dat 5110139 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.M.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.M2.dat 5614600 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.Nf.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.b_forces.dat 14144 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.b_struct.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.d2M.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.d2b.dat 14378 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.g.dat 15182 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.g_cnt.dat 15182 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/save.rescale.dat 5945 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_1stquart/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/ 212480 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/343K_25.tpr 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/L.Pair_Interaction.total.CS.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/L.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/L.Pair_Interaction.total.SS.dat 14238 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/S.dat 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/S_CONST.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/b_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/b_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/b_struct.Pair_Interaction.total.SS.dat 352598 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/cgff-PEO_343K_25.o3667587 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/f_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/f_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g.Pair_Interaction.total.CS.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g_cnt.Pair_Interaction.total.CS.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g_cnt.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/inp.txt 75566 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/log.txt 4557 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/out.total.txt 1731 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.FF.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.L.dat 5107027 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.M.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.M2.dat 5620859 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.Nf.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.b_forces.dat 14155 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.b_struct.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.d2M.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.d2b.dat 14385 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.g.dat 15187 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.g_cnt.dat 15187 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/save.rescale.dat 5945 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_2ndquart/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/ 212480 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/343K_25.tpr 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/L.Pair_Interaction.total.CS.dat 3100 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/L.Pair_Interaction.total.SS.dat 14259 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/S.dat 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/S_CONST.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/b_struct.Pair_Interaction.total.CS.dat 3100 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/b_struct.Pair_Interaction.total.SS.dat 306038 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/cgff-PEO_343K_25.o3667588 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/f_struct.Pair_Interaction.total.CS.dat 3100 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g.Pair_Interaction.total.CS.dat 3100 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g_cnt.Pair_Interaction.total.CS.dat 3100 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/inp.txt 75588 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/log.txt 4557 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/out.total.txt 1731 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.FF.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.L.dat 5101230 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.M.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.M2.dat 5585958 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.Nf.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.b_forces.dat 14149 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.b_struct.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.d2M.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.d2b.dat 14353 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.g.dat 15161 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.g_cnt.dat 15161 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/save.rescale.dat 5945 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_3rdquart/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/ 212480 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/343K_25.tpr 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/L.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/L.Pair_Interaction.total.CS.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/L.Pair_Interaction.total.SNa.dat 2821 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/L.Pair_Interaction.total.SS.dat 14049 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/S.dat 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/S_CONST.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/b_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/b_struct.Pair_Interaction.total.CS.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/b_struct.Pair_Interaction.total.SNa.dat 2821 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/b_struct.Pair_Interaction.total.SS.dat 301430 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/cgff-PEO_343K_25.o3667589 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/f_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/f_struct.Pair_Interaction.total.CS.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/f_struct.Pair_Interaction.total.SNa.dat 2821 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g.Pair_Interaction.total.CS.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g.Pair_Interaction.total.SNa.dat 2821 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g_cnt.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g_cnt.Pair_Interaction.total.CS.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g_cnt.Pair_Interaction.total.SNa.dat 2821 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/inp.txt 75368 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/log.txt 4557 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/out.total.txt 1731 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.FF.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.L.dat 5100259 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.M.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.M2.dat 5566652 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.Nf.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.b_forces.dat 14131 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.b_struct.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.d2M.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.d2b.dat 14371 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.g.dat 15148 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.g_cnt.dat 15148 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/save.rescale.dat 5945 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_4thquart/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/ 212480 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/343K_25.tpr 14196 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/S.dat 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/S_CONST.dat 1971 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/average_save_states.py 784 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgff-PEO_343K_25.o3670957 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/ 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/ 5810 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 164067 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/343K_25.1frame.gro 164070 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/343K_25.Emin.gro 2060 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/343K_25.Emin.mdp 137200 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/343K_25.edr 9785 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/343K_25.top 226728 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/343K_25.tpr 175124 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/343K_25.trr 38 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/cgPEO_343K_25_Emin.o3789960 41597 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/grompp.log 60831 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/mdout-343K_25.mdp 111510 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/mdrun.log 10601 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/mol_types_343K_25.itp 226 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2097 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/table.xvg 58372 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58564 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58329 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58349 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58669 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/table_S_S.xvg 6740 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/ 7522 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/343K_25.Equil.mdp 251550 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/343K_25.confout.gro 56876 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/343K_25.edr 9785 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/343K_25.top 226728 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/343K_25.tpr 13392804 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/343K_25.trr 375 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/cgPEO_343K_25_Equil.o3790007 41700 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/grompp.log 60831 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/mdout-343K_25.mdp 35385 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/mdrun.log 10601 01-30-2015 15:58 09.23.14/CGFF/343K_25/iter0_fromquart/cgsim/Equil/mol_types_343K_25.itp 228 01-30-2015 15:58 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09.23.14/CGFF/343K_38/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_1stquarter/save.b_forces.dat 14155 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_1stquarter/save.d2b.dat 14350 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_1stquarter/save.g.dat 15282 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_1stquarter/save.g_cnt.dat 15282 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_1stquarter/save.rescale.dat 5944 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_1stquarter/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/ 230744 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/343K_38.tpr 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/S.dat 14280 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/cgff-PEO_343K_38.o3667597 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 106 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/inp.txt 75638 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/log.txt 4557 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/out.total.txt 1732 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.L.dat 5107196 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.M2.dat 5648500 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.b_forces.dat 14146 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.d2b.dat 14374 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.g.dat 15283 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.g_cnt.dat 15283 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/save.rescale.dat 5944 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/ 230744 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/343K_38.tpr 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/S.dat 14280 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/cgff-PEO_343K_38.o3789881 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 106 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/inp.txt 75638 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/log.txt 4557 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/out.total.txt 1732 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.L.dat 5107865 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.M2.dat 5649946 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.b_forces.dat 14138 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.d2b.dat 14372 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.g.dat 15283 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.g_cnt.dat 15283 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/save.rescale.dat 5944 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/ 230744 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/343K_38.tpr 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3224 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/S.dat 14322 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3224 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 349046 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/cgff-PEO_343K_38.o3789882 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3224 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3224 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3224 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 106 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/inp.txt 75682 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/log.txt 4557 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/out.total.txt 1732 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.FF.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.L.dat 5111156 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.M.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.M2.dat 5665576 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.b_forces.dat 14138 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.d2b.dat 14367 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.g.dat 15289 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.g_cnt.dat 15289 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/save.rescale.dat 5944 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_4thquarter/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/ 230744 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/343K_38.tpr 14301 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/S.dat 14301 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/S_CONST.dat 1979 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/average_save_states.py 1051 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgff-PEO_343K_38.o3798017 0 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/ 0 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/ 6131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 181081 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/343K_38.1frame.gro 181080 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/343K_38.Emin.gro 2060 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/343K_38.Emin.mdp 292036 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/343K_38.edr 9789 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/343K_38.top 246508 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/343K_38.tpr 193268 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/343K_38.trr 104 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/cgPEO_343K_38_Emin.o3798027 41598 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/grompp.log 64662 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/mdout-343K_38.mdp 227455 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/mdrun.log 10601 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/mol_types_343K_38.itp 226 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2101 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/table.xvg 58378 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58573 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58333 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58351 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58676 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58301 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10096 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/ 7526 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/343K_38.Equil.mdp 277632 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/343K_38.confout.gro 56876 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/343K_38.edr 9789 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/343K_38.top 246508 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/343K_38.tpr 14780820 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/343K_38.trr 375 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/cgPEO_343K_38_Equil.o3798033 41699 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/grompp.log 64662 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/mdout-343K_38.mdp 35382 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/mdrun.log 10601 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/mol_types_343K_38.itp 228 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/run_gmx.sh 331824 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/state.cpt 331824 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/table.xvg 58378 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58573 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58333 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58351 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58676 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58301 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10096 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 10:33 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/ 7417 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 277632 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/343K_38.confout.gro 5541476 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/343K_38.edr 2044 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/343K_38.mdp 9789 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/343K_38.top 246508 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/343K_38.tpr 1449389820 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/343K_38.trr 295641 05-27-2015 10:33 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:12 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1330 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/bonds.xvg 894 05-27-2015 10:33 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1894 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 366 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_343K_38_Prodrun.o3798105 6272 05-27-2015 10:33 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026488 46440 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3799354 94019 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/distance.xvg 41696 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/grompp.log 64662 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/index.ndx 10380 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/mdout-343K_38.mdp 1812820 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/mdrun.log 10601 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/mol_types_343K_38.itp 230 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:17 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 31639 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-C.xvg 31638 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-Na.xvg 31638 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-S.xvg 31637 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 31638 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 31639 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2109 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 331824 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/state.cpt 331824 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/table.xvg 58378 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/table_C_C.xvg 58573 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/table_C_Na.xvg 58333 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/table_C_S.xvg 58351 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58676 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58301 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10096 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/ 391 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/copy_forces.sh 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_bond.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/f_zero.dat 1051 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/table.xvg 58378 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/table_C_C.xvg 58573 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/table_C_Na.xvg 58333 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/table_C_S.xvg 58351 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/table_Na_Na.xvg 58676 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/table_S_Na.xvg 58301 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/table_S_S.xvg 10096 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/edit/table_b0.xvg 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_forces.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/inp.txt 75882 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/log.txt 2961 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/out.total.txt 1787 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/qsub.sh 2058 01-30-2015 15:58 09.23.14/CGFF/343K_38/iter0_fromquart/qsub_xv.sh 18 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09.23.14/CGFF/343K_50/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 360854 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/cgff-PEO_343K_50.o3667623 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 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09.23.14/CGFF/343K_50/iter0_1stquarter/inp.txt 75662 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/log.txt 4557 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/out.total.txt 1732 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.FF.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.L.dat 5118109 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.M.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.M2.dat 5692211 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.b_forces.dat 14148 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.d2b.dat 14375 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.g.dat 15367 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.g_cnt.dat 15367 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_1stquarter/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/ 247508 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/343K_50.tpr 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/S.dat 14280 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 309302 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/cgff-PEO_343K_50.o3667636 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/inp.txt 75640 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/log.txt 4557 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/out.total.txt 1732 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_2ndquarter/save.L.dat 5111986 01-30-2015 15:58 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09.23.14/CGFF/343K_50/iter0_3rdquarter/343K_50.tpr 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14238 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/S.dat 14238 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 305366 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/cgff-PEO_343K_50.o3667637 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/inp.txt 75596 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/log.txt 4557 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/out.total.txt 1732 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.L.dat 5103510 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.M2.dat 5639723 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.b_forces.dat 14141 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.d2b.dat 14371 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.g.dat 15350 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.g_cnt.dat 15350 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/ 247508 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/343K_50.tpr 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/S.dat 14301 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 328214 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/cgff-PEO_343K_50.o3667638 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3162 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/inp.txt 75662 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/log.txt 4557 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/out.total.txt 1732 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/par.txt 2064 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/qsub.sh 2059 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.FF.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.L.dat 5107742 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.M.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.M2.dat 5673840 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.b_forces.dat 14154 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.d2b.dat 14356 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.g.dat 15371 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.g_cnt.dat 15371 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_4thquarter/summarize_input.txt 0 01-30-2015 15:59 09.23.14/CGFF/343K_50/iter0_fromquart/ 247508 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/343K_50.tpr 14280 01-30-2015 15:59 09.23.14/CGFF/343K_50/iter0_fromquart/S.dat 14280 01-30-2015 15:59 09.23.14/CGFF/343K_50/iter0_fromquart/S_CONST.dat 1979 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/average_save_states.py 784 01-30-2015 15:59 09.23.14/CGFF/343K_50/iter0_fromquart/cgff-PEO_343K_50.o3789884 0 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/ 0 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/ 5785 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 196872 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/343K_50.1frame.gro 196875 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/343K_50.Emin.gro 2060 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/343K_50.Emin.mdp 178384 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/343K_50.edr 9793 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/343K_50.top 264676 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/343K_50.tpr 210116 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/343K_50.trr 38 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/cgPEO_343K_50_Emin.o3789964 41600 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/grompp.log 68220 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/mdout-343K_50.mdp 141875 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/mdrun.log 10604 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/mol_types_343K_50.itp 226 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2097 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/table.xvg 58350 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58482 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58349 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58373 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58656 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10103 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/ 7550 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/343K_50.Equil.mdp 301851 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/343K_50.confout.gro 56876 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/343K_50.edr 9793 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/343K_50.top 264676 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/343K_50.tpr 16069692 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/343K_50.trr 375 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/cgPEO_343K_50_Equil.o3790008 41684 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/grompp.log 68220 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/mdout-343K_50.mdp 35503 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/mdrun.log 10604 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/mol_types_343K_50.itp 228 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/run_gmx.sh 357096 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/state.cpt 357096 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/table.xvg 58350 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58482 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58349 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58373 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58656 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58297 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10103 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 10:33 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Prod_run/ 7423 01-30-2015 15:58 09.23.14/CGFF/343K_50/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 301851 01-30-2015 15:59 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09.23.14/CGFF/343K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/inp.txt 75508 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/log.txt 4557 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/out.total.txt 1732 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/par.txt 2064 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/qsub.sh 2059 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.L.dat 5111327 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.M2.dat 5663760 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.b_forces.dat 14151 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.d2b.dat 14369 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.g.dat 15374 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.g_cnt.dat 15374 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/ 265772 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/343K_63.tpr 1860 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14133 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/S.dat 14133 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/S_CONST.dat 1860 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 328982 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/cgff-PEO_343K_63.o3798023 1860 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 1860 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 1860 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/inp.txt 75486 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/log.txt 4557 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/out.total.txt 1732 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/par.txt 2064 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/qsub.sh 2059 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.L.dat 5106655 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.M2.dat 5661995 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.b_forces.dat 14161 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.d2b.dat 14384 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.g.dat 15363 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.g_cnt.dat 15363 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/ 265772 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/343K_63.tpr 2015 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14217 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/S.dat 14217 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/S_CONST.dat 2015 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 360854 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/cgff-PEO_343K_63.o3667621 2015 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2015 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2015 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3007 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/inp.txt 75574 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/log.txt 4557 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/out.total.txt 1732 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/par.txt 2064 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/qsub.sh 2059 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/save.FF.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/save.L.dat 5113521 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/save.M.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/save.M2.dat 5692466 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/save.b_forces.dat 14132 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_63/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 15:59 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01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 1953 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 1953 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/inp.txt 75618 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/log.txt 4557 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/out.total.txt 1732 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/par.txt 2064 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/qsub.sh 2059 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.FF.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.L.dat 5119210 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.M.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.M2.dat 5659557 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.b_forces.dat 14139 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.d2b.dat 14375 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.g.dat 15362 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.g_cnt.dat 15362 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_1stquarter/summarize_input.txt 0 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/ 282464 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/343K_75.tpr 2015 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3100 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/S.dat 14322 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/S_CONST.dat 2015 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3100 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 321110 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/cgff-PEO_343K_75.o3789889 2015 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3100 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2015 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3100 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2015 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3100 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/inp.txt 75684 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/log.txt 4557 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/out.total.txt 1732 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/par.txt 2064 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/qsub.sh 2059 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.L.dat 5114147 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.M2.dat 5662021 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.b_forces.dat 14130 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.d2b.dat 14377 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.g.dat 15365 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.g_cnt.dat 15365 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/ 282464 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/343K_75.tpr 2046 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/S.dat 14280 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/S_CONST.dat 2046 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 348662 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/cgff-PEO_343K_75.o3667645 2046 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2046 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2046 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/inp.txt 75640 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/log.txt 4557 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/out.total.txt 1732 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/par.txt 2064 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/qsub.sh 2059 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.L.dat 5103608 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.M2.dat 5677730 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.b_forces.dat 14155 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.d2b.dat 14373 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.g.dat 15362 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.g_cnt.dat 15362 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/ 282464 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/343K_75.tpr 2046 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/L.BondStretch.total.bonds.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14259 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/S.dat 14259 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/S_CONST.dat 2046 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 333302 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/cgff-PEO_343K_75.o3789890 2046 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2046 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g.BondStretch.total.bonds.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2046 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/inp.txt 75618 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/log.txt 4557 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/out.total.txt 1732 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/par.txt 2064 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/qsub.sh 2059 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.FF.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.L.dat 5105030 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.M.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.M2.dat 5672013 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.b_forces.dat 14155 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.d2b.dat 14377 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.g.dat 15369 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.g_cnt.dat 15369 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_4thquarter/summarize_input.txt 0 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/ 282464 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/343K_75.tpr 14343 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/S.dat 14343 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/S_CONST.dat 1979 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/average_save_states.py 784 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgff-PEO_343K_75.o3798024 0 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/ 0 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/ 6126 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 229682 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/343K_75.1frame.gro 229680 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/343K_75.Emin.gro 2060 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/343K_75.Emin.mdp 426280 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/343K_75.edr 9789 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/343K_75.top 302548 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/343K_75.tpr 245108 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/343K_75.trr 104 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/cgPEO_343K_75_Emin.o3798029 41587 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/grompp.log 75606 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/mdout-343K_75.mdp 326245 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/mdrun.log 10603 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/mol_types_343K_75.itp 226 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2101 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/table.xvg 58404 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58488 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58385 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58368 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58649 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58346 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10082 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/ 7418 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/343K_75.Equil.mdp 352152 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/343K_75.confout.gro 56876 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/343K_75.edr 9789 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/343K_75.top 302548 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/343K_75.tpr 18746580 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/343K_75.trr 375 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/cgPEO_343K_75_Equil.o3798034 41722 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/grompp.log 75606 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/mdout-343K_75.mdp 35276 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/mdrun.log 10603 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/mol_types_343K_75.itp 228 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/run_gmx.sh 409584 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/state.cpt 409584 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/table.xvg 58404 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58488 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58385 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58368 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58649 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58346 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10082 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 10:32 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/ 7433 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 352152 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/343K_75.confout.gro 5541476 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/343K_75.edr 2044 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/343K_75.mdp 9789 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/343K_75.top 302548 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/343K_75.tpr 1838267580 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/343K_75.trr 295648 05-27-2015 10:32 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:06 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1330 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/bonds.xvg 894 05-27-2015 10:31 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1894 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 370 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_343K_75_Prodrun.o3798107 6272 05-27-2015 10:32 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026485 46334 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3799356 94019 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/distance.xvg 41841 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/grompp.log 75606 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/index.ndx 10380 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/mdout-343K_75.mdp 1813071 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/mdrun.log 10603 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/mol_types_343K_75.itp 230 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:17 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 31834 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/rdf_C-C.xvg 31835 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/rdf_C-Na.xvg 31836 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/rdf_C-S.xvg 31837 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 31836 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 31837 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2109 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 409584 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/state.cpt 409584 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/table.xvg 58404 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/table_C_C.xvg 58488 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/table_C_Na.xvg 58385 01-30-2015 15:59 09.23.14/CGFF/343K_75/iter0_fromquart/cgsim/Prod_run/table_C_S.xvg 58368 01-30-2015 15:59 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01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 323126 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/cgff-PEO_343K_83.o3789891 1643 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 1643 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 1643 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/inp.txt 75376 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/log.txt 4557 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/out.total.txt 1732 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/par.txt 2064 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/qsub.sh 2059 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_1stquarter/save.FF.dat 13775 01-30-2015 15:59 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09.23.14/CGFF/343K_83/iter0_2ndquarter/ 293972 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/343K_83.tpr 1612 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14028 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/S.dat 14028 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/S_CONST.dat 1612 01-30-2015 15:59 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09.23.14/CGFF/343K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 1612 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3224 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 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15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/out.total.txt 1732 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/par.txt 2064 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/qsub.sh 2059 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.L.dat 5105733 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.M2.dat 5638073 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.b_forces.dat 14148 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.d2b.dat 14359 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.g.dat 15331 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.g_cnt.dat 15331 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/ 293972 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/343K_83.tpr 1612 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14007 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/S.dat 14007 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/S_CONST.dat 1612 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 328982 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/cgff-PEO_343K_83.o3667650 1612 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 1612 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 1612 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/inp.txt 75354 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/log.txt 4557 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/out.total.txt 1732 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/par.txt 2064 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/qsub.sh 2059 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.L.dat 5099141 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.M2.dat 5639252 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.b_forces.dat 14161 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.d2b.dat 14354 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.g.dat 15331 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.g_cnt.dat 15331 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/ 293972 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/343K_83.tpr 2077 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/S.dat 14280 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/S_CONST.dat 2077 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 345110 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/cgff-PEO_343K_83.o3667651 2077 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/inp.txt 75640 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/log.txt 4557 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/out.total.txt 1732 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/par.txt 2064 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/qsub.sh 2059 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.FF.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.L.dat 5106775 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.M.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.M2.dat 5659442 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.b_forces.dat 14156 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.d2b.dat 14374 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.g.dat 15332 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.g_cnt.dat 15332 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_4thquarter/summarize_input.txt 0 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/ 293972 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/343K_83.tpr 14175 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/S.dat 14175 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/S_CONST.dat 1979 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/average_save_states.py 784 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgff-PEO_343K_83.o3798036 0 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/ 0 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/ 6112 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 240616 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/343K_83.1frame.gro 240615 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/343K_83.Emin.gro 2060 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/343K_83.Emin.mdp 170464 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/343K_83.edr 9788 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/343K_83.top 315028 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/343K_83.tpr 256772 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/343K_83.trr 104 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/cgPEO_343K_83_Emin.o3798040 41588 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/grompp.log 78069 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/mdout-343K_83.mdp 137885 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/mdrun.log 10604 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/mol_types_343K_83.itp 226 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2101 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/table.xvg 58374 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58553 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58431 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58322 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58688 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10091 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Equil/ 7415 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/cgsim/Equil/343K_83.Equil.mdp 368919 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13050 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/save.d2b.dat 13645 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/save.g.dat 14608 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/save.g_cnt.dat 14608 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/save.rescale.dat 6100 01-30-2015 15:59 09.23.14/CGFF/343K_83/iter0_fromquart/summarize_input.txt 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/ 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/ 212480 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/373K_25.tpr 247508 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/373K_50.tpr 282464 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/373K_75.tpr 212480 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/398K_25.tpr 247508 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/398K_50.tpr 282464 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/398K_75.tpr 212480 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/423K_25.tpr 247508 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/423K_50.tpr 282464 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/423K_75.tpr 14322 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/S.dat 14322 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/S_CONST.dat 2012 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/average_save_states.py 6660 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgff-PEO_373K-398K-423K_X_25-50-75.o3808508 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/ 0 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/ 6131 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/#mdrun.log.1# 262486 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/343K_100.1frame.gro 262485 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09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/mdout-343K_100.mdp 161747 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/mol_types_343K_100.itp 227 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/qsub_cgsim_Emin.sh 2102 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/run_gmx.sh 389098 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/table.xvg 58362 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/table_C_C.xvg 58588 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/table_C_Na.xvg 58327 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/table_C_S.xvg 58329 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/table_Na_Na.xvg 58688 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/table_S_Na.xvg 58297 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/table_S_S.xvg 10100 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Emin/table_b0.xvg 0 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/ 7420 02-02-2015 09:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/#mdrun.log.1# 2026 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/343K_100.Equil.mdp 402453 02-02-2015 09:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/343K_100.confout.gro 49460 02-02-2015 09:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/343K_100.edr 1391 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/343K_100.top 306228 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/343K_100.tpr 21423468 02-02-2015 09:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/343K_100.trr 375 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/cgPEO_343K_100_Equil.o3872914 3361 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/grompp.log 82987 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/index.ndx 10370 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/mdout-343K_100.mdp 34671 02-02-2015 09:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/mol_types_343K_100.itp 229 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/qsub_cgsim_Equil.sh 2112 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/run_gmx.sh 461928 02-02-2015 09:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/state.cpt 461928 02-02-2015 09:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/state_prev.cpt 389098 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/table.xvg 58362 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/table_C_C.xvg 58588 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/table_C_Na.xvg 58327 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/table_C_S.xvg 58329 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/table_Na_Na.xvg 58688 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/table_S_Na.xvg 58297 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/table_S_S.xvg 10100 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Equil/table_b0.xvg 0 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/ 7625 02-02-2015 19:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/#mdrun.log.1# 402453 02-02-2015 19:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/343K_100.confout.gro 4821260 02-02-2015 19:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/343K_100.edr 2030 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/343K_100.mdp 1391 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/343K_100.top 306228 02-02-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/343K_100.tpr 2100760068 02-02-2015 19:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/343K_100.trr 295662 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/Rg.xvg 14784 05-27-2015 10:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/Rg_index.ndx 1311 02-03-2015 13:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/bonds.xvg 895 05-27-2015 10:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/calc_Rg.sh 1907 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/calc_dist.sh 374 02-02-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/cgPEO_343K_100_Prodrun.o3873041 6290 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/cgPEO_calcRg.o4026547 25769 02-03-2015 13:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/cgPEO_calcdist.o3875078 94019 02-03-2015 13:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/distance.xvg 3398 02-02-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/grompp.log 82987 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/index.ndx 10366 02-02-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/mdout-343K_100.mdp 1812845 02-02-2015 19:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/mol_types_343K_100.itp 231 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/qsub_xv_calcdist.sh 31992 02-03-2015 13:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/rdf_Na-Na.xvg 31990 02-03-2015 13:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/rdf_S-Na.xvg 31991 02-03-2015 13:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/rdf_S-S.xvg 2110 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/run_gmx.sh 461928 02-02-2015 19:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/state.cpt 461928 02-02-2015 19:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/state_prev.cpt 389098 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/table.xvg 58362 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/table_C_C.xvg 58588 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/table_C_S.xvg 58329 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/table_S_S.xvg 10100 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_100/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/ 0 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/ 5840 02-02-2015 08:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/#mdrun.log.1# 164067 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/343K_25.1frame.gro 164070 02-02-2015 08:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/343K_25.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/343K_25.Emin.mdp 120964 02-02-2015 08:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/343K_25.edr 9785 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/343K_25.top 226728 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/343K_25.tpr 175124 02-02-2015 08:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/343K_25.trr 38 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/cgPEO_343K_25_Emin.o3872881 41596 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/grompp.log 60831 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/index.ndx 10401 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/mdout-343K_25.mdp 99539 02-02-2015 08:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/mol_types_343K_25.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/run_gmx.sh 389098 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/table.xvg 58362 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/table_C_C.xvg 58588 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/table_C_Na.xvg 58327 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/table_C_S.xvg 58329 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/table_Na_Na.xvg 58688 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/table_S_Na.xvg 58297 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/table_S_S.xvg 10100 02-02-2015 08:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Emin/table_b0.xvg 0 02-02-2015 11:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/ 7528 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/343K_25.Equil.mdp 251550 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/343K_25.confout.gro 56876 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/343K_25.edr 9785 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/343K_25.top 226728 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/343K_25.tpr 13392804 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/343K_25.trr 375 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/cgPEO_343K_25_Equil.o3872886 41710 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/grompp.log 60831 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/index.ndx 10384 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/mdout-343K_25.mdp 35320 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/mol_types_343K_25.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/run_gmx.sh 304608 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/state.cpt 389098 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/table.xvg 58362 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/table_C_C.xvg 58588 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/table_C_Na.xvg 58327 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/table_C_S.xvg 58329 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/table_Na_Na.xvg 58688 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/table_S_Na.xvg 58297 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/table_S_S.xvg 10100 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Equil/table_b0.xvg 0 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/ 7542 02-03-2015 15:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/#mdrun.log.1# 251550 02-03-2015 15:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/343K_25.confout.gro 5541476 02-03-2015 15:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/343K_25.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/343K_25.mdp 9785 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/343K_25.top 226728 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/343K_25.tpr --------- ------- 4112763240 259 files ===================================================== Content of ZIP archive 09.23.14-033.zip ===================================================== Archive: 09.23.14-033.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 02-03-2015 15:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/343K_25.trr 295654 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/Rg.xvg 14784 05-27-2015 10:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/Rg_index.ndx 1330 02-05-2015 03:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/bonds.xvg 894 05-27-2015 10:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/calc_dist.sh 375 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/cgPEO_343K_25_Prodrun.o3875070 6253 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/cgPEO_calcRg.o4026539 46335 02-05-2015 04:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/cgPEO_calcdist.o3877669 94019 02-05-2015 03:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/distance.xvg 41700 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/grompp.log 60831 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/index.ndx 10380 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/mdout-343K_25.mdp 1812872 02-03-2015 15:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/mol_types_343K_25.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/qsub_xv_calcdist.sh 31573 02-05-2015 03:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/rdf_C-C.xvg 31574 02-05-2015 04:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/rdf_C-Na.xvg 31571 02-05-2015 04:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/rdf_C-S.xvg 31572 02-05-2015 04:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/rdf_Na-Na.xvg 31570 02-05-2015 04:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/rdf_S-Na.xvg 31572 02-05-2015 04:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/run_gmx.sh 304608 02-03-2015 15:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/state.cpt 304608 02-03-2015 15:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/state_prev.cpt 389098 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/table.xvg 58362 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/table_C_C.xvg 58588 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/table_C_Na.xvg 58327 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/table_C_S.xvg 58329 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/table_Na_Na.xvg 58688 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/table_S_Na.xvg 58297 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/table_S_S.xvg 10100 02-03-2015 13:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_25/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/ 0 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/ 6112 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/#mdrun.log.1# 181081 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/343K_38.1frame.gro 181080 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/343K_38.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/343K_38.Emin.mdp 343912 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/343K_38.edr 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/343K_38.top 246508 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/343K_38.tpr 193268 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/343K_38.trr 104 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/cgPEO_343K_38_Emin.o3872887 41577 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/index.ndx 10401 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/mdout-343K_38.mdp 265533 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/mol_types_343K_38.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/run_gmx.sh 389098 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/table.xvg 58362 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/table_C_C.xvg 58588 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/table_C_Na.xvg 58327 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/table_C_S.xvg 58329 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/table_Na_Na.xvg 58688 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/table_S_Na.xvg 58297 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/table_S_S.xvg 10100 02-02-2015 08:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Emin/table_b0.xvg 0 02-02-2015 11:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/ 7433 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/343K_38.Equil.mdp 277632 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/343K_38.confout.gro 56876 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/343K_38.edr 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/343K_38.top 246508 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/343K_38.tpr 14780820 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/343K_38.trr 375 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/cgPEO_343K_38_Equil.o3872888 41710 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/index.ndx 10384 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/mdout-343K_38.mdp 35204 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/mol_types_343K_38.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/run_gmx.sh 331824 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/state.cpt 389098 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/table.xvg 58362 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/table_C_C.xvg 58588 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/table_C_Na.xvg 58327 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/table_C_S.xvg 58329 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/table_Na_Na.xvg 58688 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/table_S_Na.xvg 58297 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/table_S_S.xvg 10100 02-02-2015 08:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Equil/table_b0.xvg 0 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/ 7555 02-02-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/#mdrun.log.1# 277632 02-02-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/343K_38.confout.gro 5541476 02-02-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/343K_38.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/343K_38.mdp 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/343K_38.top 246508 02-02-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/343K_38.tpr 1449389820 02-02-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/343K_38.trr 295624 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/Rg.xvg 14784 05-27-2015 10:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/Rg_index.ndx 1330 02-03-2015 13:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/bonds.xvg 894 05-27-2015 10:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/calc_dist.sh 374 02-02-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/cgPEO_343K_38_Prodrun.o3873036 6266 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/cgPEO_calcRg.o4026540 46413 02-03-2015 13:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/cgPEO_calcdist.o3875071 94019 02-03-2015 13:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/distance.xvg 41705 02-02-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/index.ndx 10380 02-02-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/mdout-343K_38.mdp 1813001 02-02-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/mol_types_343K_38.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/qsub_xv_calcdist.sh 31638 02-03-2015 13:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/rdf_C-C.xvg 31637 02-03-2015 13:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/rdf_C-Na.xvg 31637 02-03-2015 13:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/rdf_C-S.xvg 31637 02-03-2015 13:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/rdf_Na-Na.xvg 31637 02-03-2015 13:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/rdf_S-Na.xvg 31639 02-03-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/run_gmx.sh 331824 02-02-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/state.cpt 331824 02-02-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/state_prev.cpt 389098 02-02-2015 11:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/table.xvg 58362 02-02-2015 11:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/table_C_C.xvg 58588 02-02-2015 11:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/table_C_S.xvg 58329 02-02-2015 11:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/table_S_S.xvg 10100 02-02-2015 11:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_38/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/ 0 02-02-2015 08:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/ 5778 02-02-2015 08:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/#mdrun.log.1# 196872 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/343K_50.1frame.gro 196875 02-02-2015 08:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/343K_50.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/343K_50.Emin.mdp 723280 02-02-2015 08:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/343K_50.edr 9793 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/343K_50.top 264676 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/343K_50.tpr 210116 02-02-2015 08:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/343K_50.trr 305 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/cgPEO_343K_50_Emin.o3872889 41611 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/grompp.log 68220 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/index.ndx 10401 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/mdout-343K_50.mdp 542940 02-02-2015 08:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/mol_types_343K_50.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/run_gmx.sh 389098 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/table.xvg 58362 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/table_C_C.xvg 58588 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/table_C_Na.xvg 58327 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/table_C_S.xvg 58329 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/table_Na_Na.xvg 58688 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/table_S_Na.xvg 58297 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/table_S_S.xvg 10100 02-02-2015 08:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Emin/table_b0.xvg 0 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/ 7396 02-02-2015 08:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/343K_50.Equil.mdp 301851 02-02-2015 08:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/343K_50.confout.gro 56876 02-02-2015 08:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/343K_50.edr 9793 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/343K_50.top 264676 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/343K_50.tpr 16069692 02-02-2015 08:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/343K_50.trr 642 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/cgPEO_343K_50_Equil.o3872890 41707 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/grompp.log 68220 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/index.ndx 10384 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/mdout-343K_50.mdp 35253 02-02-2015 08:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/mol_types_343K_50.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/run_gmx.sh 357096 02-02-2015 08:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/state.cpt 357096 02-02-2015 08:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/state_prev.cpt 389098 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/table.xvg 58362 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/table_C_C.xvg 58588 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/table_C_Na.xvg 58327 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/table_C_S.xvg 58329 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/table_Na_Na.xvg 58688 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/table_S_Na.xvg 58297 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/table_S_S.xvg 10100 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Equil/table_b0.xvg 0 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/ 7525 02-02-2015 15:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/#mdrun.log.1# 301851 02-02-2015 15:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/343K_50.confout.gro 5541476 02-02-2015 15:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/343K_50.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/343K_50.mdp 9793 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/343K_50.top 264676 02-02-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/343K_50.tpr 1575775092 02-02-2015 15:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/343K_50.trr 295656 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/Rg.xvg 14784 05-27-2015 10:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/Rg_index.ndx 1330 02-03-2015 13:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/bonds.xvg 894 05-27-2015 10:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/calc_dist.sh 375 02-02-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/cgPEO_343K_50_Prodrun.o3873037 6290 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/cgPEO_calcRg.o4026542 46415 02-03-2015 13:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/cgPEO_calcdist.o3875072 94019 02-03-2015 13:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/distance.xvg 41725 02-02-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/grompp.log 68220 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/index.ndx 10380 02-02-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/mdout-343K_50.mdp 1813128 02-02-2015 15:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/mol_types_343K_50.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/qsub_xv_calcdist.sh 31726 02-03-2015 13:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/rdf_C-C.xvg 31727 02-03-2015 13:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/rdf_C-Na.xvg 31727 02-03-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/rdf_C-S.xvg 31726 02-03-2015 13:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/rdf_Na-Na.xvg 31726 02-03-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/rdf_S-Na.xvg 31726 02-03-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/run_gmx.sh 357096 02-02-2015 15:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/state.cpt 357096 02-02-2015 15:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/state_prev.cpt 389098 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/table.xvg 58362 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/table_C_C.xvg 58588 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/table_C_S.xvg 58329 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/table_S_S.xvg 10100 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_50/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/ 0 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/ 5797 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/#mdrun.log.1# 213886 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/343K_63.1frame.gro 213885 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/343K_63.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/343K_63.Emin.mdp 153832 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/343K_63.edr 9796 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/343K_63.top 284452 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/343K_63.tpr 228260 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/343K_63.trr 38 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/cgPEO_343K_63_Emin.o3872891 41607 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/index.ndx 10401 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/mdout-343K_63.mdp 123746 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/mol_types_343K_63.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/run_gmx.sh 389098 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/table.xvg 58362 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/table_C_C.xvg 58588 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/table_C_Na.xvg 58327 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/table_C_S.xvg 58329 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/table_Na_Na.xvg 58688 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/table_S_Na.xvg 58297 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/table_S_S.xvg 10100 02-02-2015 08:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Emin/table_b0.xvg 0 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/ 7388 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/343K_63.Equil.mdp 327933 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/343K_63.confout.gro 56876 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/343K_63.edr 9796 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/343K_63.top 284452 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/343K_63.tpr 17457708 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/343K_63.trr 375 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/cgPEO_343K_63_Equil.o3872893 41699 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/index.ndx 10384 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/mdout-343K_63.mdp 35262 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/mol_types_343K_63.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/run_gmx.sh 384312 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/state.cpt 384312 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/state_prev.cpt 389098 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/table.xvg 58362 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/table_C_C.xvg 58588 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/table_C_Na.xvg 58327 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/table_C_S.xvg 58329 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/table_Na_Na.xvg 58688 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/table_S_Na.xvg 58297 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/table_S_S.xvg 10100 02-02-2015 08:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Equil/table_b0.xvg 0 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/ 7541 02-02-2015 15:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/#mdrun.log.1# 327933 02-02-2015 15:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/343K_63.confout.gro 5541476 02-02-2015 15:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/343K_63.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/343K_63.mdp 9796 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/343K_63.top 284452 02-02-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/343K_63.tpr --------- ------- 4431130828 281 files ===================================================== Content of ZIP archive 09.23.14-034.zip ===================================================== Archive: 09.23.14-034.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 02-02-2015 15:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/343K_63.trr 295634 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/Rg.xvg 14784 05-27-2015 10:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/Rg_index.ndx 1330 02-03-2015 13:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/bonds.xvg 894 05-27-2015 10:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/calc_dist.sh 375 02-02-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/cgPEO_343K_63_Prodrun.o3873038 6308 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/cgPEO_calcRg.o4026543 46452 02-03-2015 13:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/cgPEO_calcdist.o3875073 94019 02-03-2015 13:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/distance.xvg 41677 02-02-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/index.ndx 10380 02-02-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/mdout-343K_63.mdp 1813187 02-02-2015 15:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/mol_types_343K_63.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/qsub_xv_calcdist.sh 31836 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/rdf_C-C.xvg 31836 02-03-2015 13:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/rdf_C-Na.xvg 31836 02-03-2015 13:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/rdf_C-S.xvg 31839 02-03-2015 13:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/rdf_Na-Na.xvg 31836 02-03-2015 13:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/rdf_S-Na.xvg 31837 02-03-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/run_gmx.sh 384312 02-02-2015 15:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/state.cpt 384312 02-02-2015 15:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/state_prev.cpt 389098 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/table.xvg 58362 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/table_C_C.xvg 58588 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/table_C_S.xvg 58329 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/table_S_S.xvg 10100 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_63/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/ 0 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/ 6123 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/#mdrun.log.1# 229682 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/343K_75.1frame.gro 229680 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/343K_75.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/343K_75.Emin.mdp 577948 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/343K_75.edr 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/343K_75.top 302548 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/343K_75.tpr 245108 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/343K_75.trr 104 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/cgPEO_343K_75_Emin.o3872896 41579 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/index.ndx 10401 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/mdout-343K_75.mdp 437897 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/mol_types_343K_75.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/run_gmx.sh 389098 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/table.xvg 58362 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/table_C_C.xvg 58588 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/table_C_Na.xvg 58327 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/table_C_S.xvg 58329 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/table_Na_Na.xvg 58688 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/table_S_Na.xvg 58297 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/table_S_S.xvg 10100 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Emin/table_b0.xvg 0 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/ 7449 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/343K_75.Equil.mdp 352152 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/343K_75.confout.gro 56876 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/343K_75.edr 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/343K_75.top 302548 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/343K_75.tpr 18746580 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/343K_75.trr 359 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/cgPEO_343K_75_Equil.o3872898 41689 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/index.ndx 10384 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/mdout-343K_75.mdp 35265 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/mol_types_343K_75.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/run_gmx.sh 409584 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/state.cpt 409584 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/state_prev.cpt 389098 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/table.xvg 58362 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/table_C_C.xvg 58588 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/table_C_Na.xvg 58327 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/table_C_S.xvg 58329 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/table_Na_Na.xvg 58688 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/table_S_Na.xvg 58297 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/table_S_S.xvg 10100 02-02-2015 08:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Equil/table_b0.xvg 0 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/ 7515 02-02-2015 15:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/#mdrun.log.1# 352152 02-02-2015 15:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/343K_75.confout.gro 5541476 02-02-2015 15:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/343K_75.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/343K_75.mdp 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/343K_75.top 302548 02-02-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/343K_75.tpr 1838267580 02-02-2015 15:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/343K_75.trr 295643 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/Rg.xvg 14784 05-27-2015 10:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/Rg_index.ndx 1330 02-03-2015 13:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/bonds.xvg 894 05-27-2015 10:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/calc_dist.sh 372 02-02-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/cgPEO_343K_75_Prodrun.o3873039 6262 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/cgPEO_calcRg.o4026544 46746 02-03-2015 13:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/cgPEO_calcdist.o3875075 94019 02-03-2015 13:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/distance.xvg 41702 02-02-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/index.ndx 10380 02-02-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/mdout-343K_75.mdp 1813250 02-02-2015 15:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/mol_types_343K_75.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/qsub_xv_calcdist.sh 31835 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/rdf_C-C.xvg 31835 02-03-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/rdf_C-Na.xvg 31836 02-03-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/rdf_C-S.xvg 31837 02-03-2015 13:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/rdf_Na-Na.xvg 31835 02-03-2015 13:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/rdf_S-Na.xvg 31837 02-03-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/run_gmx.sh 409584 02-02-2015 15:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/state.cpt 409584 02-02-2015 15:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/state_prev.cpt 389098 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/table.xvg 58362 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/table_C_C.xvg 58588 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/table_C_S.xvg 58329 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/table_S_S.xvg 10100 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_75/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/ 0 02-02-2015 08:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/ 6131 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/#mdrun.log.1# 240616 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/343K_83.1frame.gro 240615 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/343K_83.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/343K_83.Emin.mdp 195808 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/343K_83.edr 9788 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/343K_83.top 315028 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/343K_83.tpr 256772 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/343K_83.trr 104 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/cgPEO_343K_83_Emin.o3872903 41678 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/index.ndx 10401 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/mdout-343K_83.mdp 156629 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/mol_types_343K_83.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/run_gmx.sh 389098 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/table.xvg 58362 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/table_C_C.xvg 58588 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/table_C_Na.xvg 58327 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/table_C_S.xvg 58329 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/table_Na_Na.xvg 58688 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/table_S_Na.xvg 58297 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/table_S_S.xvg 10100 02-02-2015 08:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Emin/table_b0.xvg 0 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/ 7522 02-02-2015 09:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/343K_83.Equil.mdp 368919 02-02-2015 09:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/343K_83.confout.gro 56876 02-02-2015 09:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/343K_83.edr 9788 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/343K_83.top 315028 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/343K_83.tpr 19638876 02-02-2015 09:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/343K_83.trr 375 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/cgPEO_343K_83_Equil.o3872906 41666 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/index.ndx 10384 02-02-2015 08:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/mdout-343K_83.mdp 35445 02-02-2015 09:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/mol_types_343K_83.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/run_gmx.sh 427080 02-02-2015 09:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/state.cpt 427080 02-02-2015 09:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/state_prev.cpt 389098 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/table.xvg 58362 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/table_C_C.xvg 58588 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/table_C_Na.xvg 58327 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/table_C_S.xvg 58329 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/table_Na_Na.xvg 58688 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/table_S_Na.xvg 58297 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/table_S_S.xvg 10100 02-02-2015 08:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Equil/table_b0.xvg 0 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/ 7532 02-02-2015 16:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/#mdrun.log.1# 368919 02-02-2015 16:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/343K_83.confout.gro 5541476 02-02-2015 16:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/343K_83.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/343K_83.mdp 9788 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/343K_83.top 315028 02-02-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/343K_83.tpr --------- ------- 3619560422 188 files ===================================================== Content of ZIP archive 09.23.14-035.zip ===================================================== Archive: 09.23.14-035.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 02-02-2015 16:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/343K_83.trr 295642 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/Rg.xvg 14784 05-27-2015 10:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/Rg_index.ndx 1330 02-03-2015 13:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/bonds.xvg 894 05-27-2015 10:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/calc_dist.sh 375 02-02-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/cgPEO_343K_83_Prodrun.o3873040 6285 05-27-2015 11:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/cgPEO_calcRg.o4026546 46674 02-03-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/cgPEO_calcdist.o3875076 94019 02-03-2015 13:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/distance.xvg 41684 02-02-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/index.ndx 10380 02-02-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/mdout-343K_83.mdp 1813320 02-02-2015 16:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/mol_types_343K_83.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/qsub_xv_calcdist.sh 31900 02-03-2015 13:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/rdf_C-C.xvg 31903 02-03-2015 13:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/rdf_C-Na.xvg 31902 02-03-2015 13:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/rdf_C-S.xvg 31904 02-03-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/rdf_Na-Na.xvg 31902 02-03-2015 13:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/rdf_S-Na.xvg 31904 02-03-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/run_gmx.sh 427080 02-02-2015 16:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/state.cpt 427080 02-02-2015 16:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/state_prev.cpt 389098 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/table.xvg 58362 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/table_C_C.xvg 58588 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/table_C_S.xvg 58329 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/table_S_S.xvg 10100 02-02-2015 11:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_343K_83/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/ 0 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/ 5783 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/#mdrun.log.1# 262482 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/373K_100.1frame.gro 262485 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/373K_100.Emin.gro 2045 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/373K_100.Emin.mdp 144532 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/373K_100.edr 1393 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/373K_100.top 306228 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/373K_100.tpr 280100 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/373K_100.trr 38 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/cgPEO_373K_100_Emin.o3872915 3251 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/grompp.log 82987 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/index.ndx 10387 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/mdout-373K_100.mdp 131249 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/mol_types_373K_100.itp 227 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/qsub_cgsim_Emin.sh 2098 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/run_gmx.sh 389098 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/table.xvg 58362 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/table_C_C.xvg 58588 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/table_C_Na.xvg 58327 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/table_C_S.xvg 58329 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/table_Na_Na.xvg 58688 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/table_S_Na.xvg 58297 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/table_S_S.xvg 10100 02-02-2015 08:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Emin/table_b0.xvg 0 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/ 7385 02-02-2015 09:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/#mdrun.log.1# 2027 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/373K_100.Equil.mdp 402453 02-02-2015 09:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/373K_100.confout.gro 49460 02-02-2015 09:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/373K_100.edr 1393 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/373K_100.top 306228 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/373K_100.tpr 21423468 02-02-2015 09:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/373K_100.trr 371 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/cgPEO_373K_100_Equil.o3872916 3362 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/grompp.log 82987 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/index.ndx 10370 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/mdout-373K_100.mdp 34656 02-02-2015 09:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/mol_types_373K_100.itp 229 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/qsub_cgsim_Equil.sh 2112 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/run_gmx.sh 461928 02-02-2015 09:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/state.cpt 461928 02-02-2015 09:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/state_prev.cpt 389098 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/table.xvg 58362 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/table_C_C.xvg 58588 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/table_C_Na.xvg 58327 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/table_C_S.xvg 58329 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/table_Na_Na.xvg 58688 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/table_S_Na.xvg 58297 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/table_S_S.xvg 10100 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Equil/table_b0.xvg 0 05-27-2015 11:00 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09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/Rg_index.ndx 1311 02-03-2015 13:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/bonds.xvg 895 05-27-2015 10:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/calc_Rg.sh 1907 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/calc_dist.sh 375 02-02-2015 15:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/cgPEO_373K_100_Prodrun.o3873043 6276 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/cgPEO_calcRg.o4026531 25861 02-03-2015 13:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/cgPEO_calcdist.o3875079 94019 02-03-2015 13:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/distance.xvg 3403 02-02-2015 15:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/grompp.log 82987 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/index.ndx 10366 02-02-2015 15:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/mdout-373K_100.mdp 1812663 02-02-2015 19:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/mol_types_373K_100.itp 231 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/qsub_xv_calcdist.sh 32144 02-03-2015 13:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/rdf_Na-Na.xvg 32144 02-03-2015 13:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/rdf_S-Na.xvg 32145 02-03-2015 13:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/rdf_S-S.xvg 2110 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/run_gmx.sh 461928 02-02-2015 19:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/state.cpt 461928 02-02-2015 19:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/state_prev.cpt 389098 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/table.xvg 58362 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/table_C_C.xvg 58588 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/table_C_S.xvg 58329 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/table_S_S.xvg 10100 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_100/Prod_run/table_b0.xvg 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/ 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/ 6157 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/#mdrun.log.1# 164071 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/373K_25.1frame.gro 164070 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/373K_25.Emin.gro 2060 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/373K_25.Emin.mdp 132448 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/373K_25.edr 9785 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/373K_25.top 226728 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/373K_25.tpr 175124 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/373K_25.trr 104 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/cgPEO_373K_25_Emin.o3813893 41589 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/grompp.log 60831 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/index.ndx 10401 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/mdout-373K_25.mdp 109899 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/mdrun.log 10604 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/mol_types_373K_25.itp 226 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/run_gmx.sh 389098 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/table.xvg 58362 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/table_C_C.xvg 58588 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/table_C_Na.xvg 58327 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/table_C_S.xvg 58329 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/table_Na_Na.xvg 58688 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/table_S_Na.xvg 58297 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/table_S_S.xvg 10100 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Emin/table_b0.xvg 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/ 7521 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/#mdrun.log.1# 2041 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/373K_25.Equil.mdp 251550 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/373K_25.confout.gro 56876 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/373K_25.edr 9785 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/373K_25.top 226728 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/373K_25.tpr 13392804 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/373K_25.trr 375 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/cgPEO_373K_25_Equil.o3813897 41691 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/grompp.log 60831 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/index.ndx 10384 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/mdout-373K_25.mdp 35322 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/mdrun.log 10604 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/mol_types_373K_25.itp 228 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/run_gmx.sh 304608 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/state.cpt 389098 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/table.xvg 58362 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/table_C_C.xvg 58588 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/table_C_Na.xvg 58327 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/table_C_S.xvg 58329 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/table_Na_Na.xvg 58688 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/table_S_Na.xvg 58297 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/table_S_S.xvg 10100 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Equil/table_b0.xvg 0 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/ 7541 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/#mdrun.log.1# 251550 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/373K_25.confout.gro 5541476 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/373K_25.edr 2044 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/373K_25.mdp 9785 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/373K_25.top 226728 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/373K_25.tpr --------- ------- 4089718648 184 files ===================================================== Content of ZIP archive 09.23.14-036.zip ===================================================== Archive: 09.23.14-036.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/373K_25.trr 295656 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/Rg.xvg 14784 05-27-2015 10:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/Rg_index.ndx 1330 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/bonds.xvg 894 05-27-2015 10:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/calc_Rg.sh 1894 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/calc_dist.sh 375 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/cgPEO_373K_25_Prodrun.o3830788 6269 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/cgPEO_calcRg.o4026538 46428 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/cgPEO_calcdist.o3845636 94019 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/distance.xvg 41684 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/grompp.log 60831 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/index.ndx 10380 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/mdout-373K_25.mdp 1812881 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/mdrun.log 10604 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/mol_types_373K_25.itp 230 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/qsub_xv_calcdist.sh 31728 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/rdf_C-C.xvg 31726 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/rdf_C-Na.xvg 31727 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/rdf_C-S.xvg 31725 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/rdf_Na-Na.xvg 31724 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/rdf_S-Na.xvg 31724 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/run_gmx.sh 304608 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/state.cpt 304608 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/state_prev.cpt 389098 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/table.xvg 58362 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/table_C_C.xvg 58588 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/table_C_Na.xvg 58327 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/table_C_S.xvg 58329 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/table_Na_Na.xvg 58688 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/table_S_Na.xvg 58297 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/table_S_S.xvg 10100 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_25/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/ 0 02-02-2015 09:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/ 6092 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/#mdrun.log.1# 181081 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/373K_38.1frame.gro 181080 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/373K_38.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/373K_38.Emin.mdp 498748 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/373K_38.edr 9788 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/373K_38.top 246508 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/373K_38.tpr 193268 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/373K_38.trr 102 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/cgPEO_373K_38_Emin.o3872927 41613 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/index.ndx 10401 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/mdout-373K_38.mdp 379555 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/mol_types_373K_38.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/run_gmx.sh 389098 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/table.xvg 58362 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/table_C_C.xvg 58588 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/table_C_Na.xvg 58327 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/table_C_S.xvg 58329 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/table_Na_Na.xvg 58688 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/table_S_Na.xvg 58297 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/table_S_S.xvg 10100 02-02-2015 08:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Emin/table_b0.xvg 0 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/ 7388 02-02-2015 09:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/373K_38.Equil.mdp 277632 02-02-2015 09:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/373K_38.confout.gro 56876 02-02-2015 09:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/373K_38.edr 9788 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/373K_38.top 246508 02-02-2015 09:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/373K_38.tpr 14780820 02-02-2015 09:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/373K_38.trr 371 02-02-2015 09:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/cgPEO_373K_38_Equil.o3872928 41719 02-02-2015 09:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/index.ndx 10384 02-02-2015 09:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/mdout-373K_38.mdp 35205 02-02-2015 09:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/mol_types_373K_38.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/run_gmx.sh 331824 02-02-2015 09:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/state.cpt 389098 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/table.xvg 58362 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/table_C_C.xvg 58588 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/table_C_Na.xvg 58327 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/table_C_S.xvg 58329 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/table_Na_Na.xvg 58688 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/table_S_Na.xvg 58297 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/table_S_S.xvg 10100 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Equil/table_b0.xvg 0 05-27-2015 14:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/ 7416 02-02-2015 21:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/#mdrun.log.1# 277632 02-02-2015 21:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/373K_38.confout.gro 5541476 02-02-2015 21:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/373K_38.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/373K_38.mdp 9788 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/373K_38.top 246508 02-02-2015 18:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/373K_38.tpr 1449389820 02-02-2015 21:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/373K_38.trr 295652 05-27-2015 14:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/Rg.xvg 14784 05-27-2015 10:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/Rg_index.ndx 1330 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/bonds.xvg 894 05-27-2015 14:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/calc_dist.sh 375 02-02-2015 18:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/cgPEO_373K_38_Prodrun.o3873046 6275 05-27-2015 14:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/cgPEO_calcRg.o4026658 46447 02-03-2015 13:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/cgPEO_calcdist.o3875082 94019 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/distance.xvg 41680 02-02-2015 18:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/index.ndx 10380 02-02-2015 18:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/mdout-373K_38.mdp 1812817 02-02-2015 21:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/mol_types_373K_38.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/qsub_xv_calcdist.sh 31837 02-03-2015 13:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/rdf_C-C.xvg 31838 02-03-2015 13:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/rdf_C-Na.xvg 31838 02-03-2015 13:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/rdf_C-S.xvg 31836 02-03-2015 13:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/rdf_Na-Na.xvg 31837 02-03-2015 13:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/rdf_S-Na.xvg 31837 02-03-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/run_gmx.sh 331824 02-02-2015 21:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/state.cpt 331824 02-02-2015 21:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/state_prev.cpt 389098 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/table.xvg 58362 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/table_C_C.xvg 58588 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/table_C_S.xvg 58329 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/table_S_S.xvg 10100 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_38/Prod_run/table_b0.xvg 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/ 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/ 5776 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/#mdrun.log.1# 196876 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/373K_50.1frame.gro 196875 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/373K_50.Emin.gro 2060 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/373K_50.Emin.mdp 162544 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/373K_50.edr 9787 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/373K_50.top 264672 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/373K_50.tpr 210116 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/373K_50.trr 38 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/cgPEO_373K_50_Emin.o3813896 41584 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/grompp.log 68221 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/index.ndx 248 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/make_bond_index.py 10401 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/mdout-373K_50.mdp 130177 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/mdrun.log 10602 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/mol_types_373K_50.itp 231 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/qsub_cgsim_Emin.sh 226 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/qsub_xv.sh 2097 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/run_gmx.sh 389098 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/table.xvg 58362 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/table_C_C.xvg 58588 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/table_C_Na.xvg 58327 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/table_C_S.xvg 58329 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/table_Na_Na.xvg 58688 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/table_S_Na.xvg 58297 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/table_S_S.xvg 10100 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Emin/table_b0.xvg 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/ 7520 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/#mdrun.log.1# 2043 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/373K_50.Equil.mdp 301851 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/373K_50.confout.gro 56876 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/373K_50.edr 9787 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/373K_50.top 264672 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/373K_50.tpr 16069692 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/373K_50.trr 375 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/cgPEO_373K_50_Equil.o3813899 41688 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/grompp.log 68221 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/index.ndx 10384 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/mdout-373K_50.mdp 35382 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/mdrun.log 10602 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/mol_types_373K_50.itp 232 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/qsub_cgsim_Equil.sh 228 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/qsub_xv.sh 2111 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/run_gmx.sh 357096 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/state.cpt 357096 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/state_prev.cpt 389098 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/table.xvg 58362 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/table_C_C.xvg 58588 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/table_C_Na.xvg 58327 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/table_C_S.xvg 58329 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/table_Na_Na.xvg 58688 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/table_S_Na.xvg 58297 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/table_S_S.xvg 10100 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Equil/table_b0.xvg 0 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/ 7514 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/#mdrun.log.1# 301851 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/373K_50.confout.gro 5541476 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/373K_50.edr 2042 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/373K_50.mdp 9787 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/373K_50.top 264672 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/373K_50.tpr 1575775092 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/373K_50.trr 295625 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/Rg.xvg 14784 05-27-2015 10:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/Rg_index.ndx 1330 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/bonds.xvg 894 05-27-2015 10:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/calc_Rg.sh 1894 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/calc_dist.sh 375 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/cgPEO_373K_50_Prodrun.o3830791 6317 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/cgPEO_calcRg.o4026536 46396 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/cgPEO_calcdist.o3845638 94019 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/distance.xvg 41682 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/grompp.log 68221 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/index.ndx 10380 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/mdout-373K_50.mdp 1813255 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/mdrun.log 10602 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/mol_types_373K_50.itp 234 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/qsub_cgsim_NVT.sh 230 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/qsub_xv.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/qsub_xv_calcdist.sh 31924 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/rdf_C-C.xvg 31924 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/rdf_C-Na.xvg 31924 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/rdf_C-S.xvg 31924 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/rdf_Na-Na.xvg 31924 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/rdf_S-Na.xvg 31925 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/run_gmx.sh 357096 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/state.cpt 357096 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/state_prev.cpt 389098 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/table.xvg 58362 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/table_C_C.xvg 58588 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/table_C_Na.xvg 58327 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/table_C_S.xvg 58329 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/table_Na_Na.xvg 58688 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/table_S_Na.xvg 58297 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/table_S_S.xvg 10100 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_50/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/ 0 02-02-2015 08:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/ 5803 02-02-2015 08:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/#mdrun.log.1# 213886 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/373K_63.1frame.gro 213885 02-02-2015 08:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/373K_63.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/373K_63.Emin.mdp 217192 02-02-2015 08:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/373K_63.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/373K_63.top 284452 02-02-2015 08:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/373K_63.tpr 228260 02-02-2015 08:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/373K_63.trr 37 02-02-2015 08:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/cgPEO_373K_63_Emin.o3872922 41652 02-02-2015 08:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/index.ndx 10401 02-02-2015 08:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/mdout-373K_63.mdp 170366 02-02-2015 08:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/mol_types_373K_63.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/run_gmx.sh 389098 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/table.xvg 58362 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/table_C_C.xvg 58588 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/table_C_Na.xvg 58327 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/table_C_S.xvg 58329 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/table_Na_Na.xvg 58688 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/table_S_Na.xvg 58297 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/table_S_S.xvg 10100 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Emin/table_b0.xvg 0 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/ 7527 02-02-2015 09:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/373K_63.Equil.mdp 327933 02-02-2015 09:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/373K_63.confout.gro 56876 02-02-2015 09:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/373K_63.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/373K_63.top 284452 02-02-2015 09:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/373K_63.tpr 17457708 02-02-2015 09:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/373K_63.trr 369 02-02-2015 09:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/cgPEO_373K_63_Equil.o3872926 41688 02-02-2015 09:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/index.ndx 10384 02-02-2015 09:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/mdout-373K_63.mdp 35369 02-02-2015 09:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/mol_types_373K_63.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/run_gmx.sh 384312 02-02-2015 09:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/state.cpt 384312 02-02-2015 09:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/state_prev.cpt 389098 02-02-2015 08:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/table.xvg 58362 02-02-2015 08:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/table_C_C.xvg 58588 02-02-2015 08:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/table_C_Na.xvg 58327 02-02-2015 08:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/table_C_S.xvg 58329 02-02-2015 08:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/table_Na_Na.xvg 58688 02-02-2015 08:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/table_S_Na.xvg 58297 02-02-2015 08:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/table_S_S.xvg 10100 02-02-2015 08:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Equil/table_b0.xvg 0 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/ 7528 02-02-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/#mdrun.log.1# 327933 02-02-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/373K_63.confout.gro 5541476 02-02-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/373K_63.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/373K_63.mdp 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/373K_63.top 284452 02-02-2015 16:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/373K_63.tpr --------- ------- 4430540165 285 files ===================================================== Content of ZIP archive 09.23.14-037.zip ===================================================== Archive: 09.23.14-037.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 02-02-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/373K_63.trr 295655 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/Rg.xvg 14784 05-27-2015 10:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/Rg_index.ndx 1330 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/bonds.xvg 894 05-27-2015 10:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/calc_dist.sh 375 02-02-2015 16:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/cgPEO_373K_63_Prodrun.o3873045 6264 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/cgPEO_calcRg.o4026534 46408 02-03-2015 13:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/cgPEO_calcdist.o3875081 94019 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/distance.xvg 41684 02-02-2015 16:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/index.ndx 10380 02-02-2015 16:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/mdout-373K_63.mdp 1813119 02-02-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/mol_types_373K_63.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/qsub_xv_calcdist.sh 31990 02-03-2015 13:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/rdf_C-C.xvg 31990 02-03-2015 13:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/rdf_C-Na.xvg 31993 02-03-2015 13:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/rdf_C-S.xvg 31991 02-03-2015 13:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/rdf_Na-Na.xvg 31988 02-03-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/rdf_S-Na.xvg 31991 02-03-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/run_gmx.sh 384312 02-02-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/state.cpt 384312 02-02-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/state_prev.cpt 389098 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/table.xvg 58362 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/table_C_C.xvg 58588 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/table_C_S.xvg 58329 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/table_S_S.xvg 10100 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_63/Prod_run/table_b0.xvg 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/ 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/ 6105 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/#mdrun.log.1# 229682 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/373K_75.1frame.gro 229680 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/373K_75.Emin.gro 2060 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/373K_75.Emin.mdp 267484 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/373K_75.edr 9786 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/373K_75.top 302548 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/373K_75.tpr 245108 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/373K_75.trr 104 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/cgPEO_373K_75_Emin.o3813898 41584 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/grompp.log 75606 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/index.ndx 10401 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/mdout-373K_75.mdp 209409 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/mdrun.log 10603 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/mol_types_373K_75.itp 226 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/run_gmx.sh 389098 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/table.xvg 58362 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/table_C_C.xvg 58588 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/table_C_Na.xvg 58327 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/table_C_S.xvg 58329 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/table_Na_Na.xvg 58688 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/table_S_Na.xvg 58297 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/table_S_S.xvg 10100 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Emin/table_b0.xvg 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/ 7410 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/#mdrun.log.1# 2041 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/373K_75.Equil.mdp 352152 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/373K_75.confout.gro 56876 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/373K_75.edr 9786 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/373K_75.top 302548 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/373K_75.tpr 18746580 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/373K_75.trr 642 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/cgPEO_373K_75_Equil.o3813901 41709 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/grompp.log 75606 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/index.ndx 10384 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/mdout-373K_75.mdp 35262 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/mdrun.log 10603 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/mol_types_373K_75.itp 228 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/run_gmx.sh 409584 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/state.cpt 409584 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/state_prev.cpt 389098 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/table.xvg 58362 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/table_C_C.xvg 58588 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/table_C_Na.xvg 58327 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/table_C_S.xvg 58329 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/table_Na_Na.xvg 58688 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/table_S_Na.xvg 58297 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/table_S_S.xvg 10100 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Equil/table_b0.xvg 0 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/ 7477 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/#mdrun.log.1# 352152 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/373K_75.confout.gro 5541476 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/373K_75.edr 2044 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/373K_75.mdp 9786 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/373K_75.top 302548 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/373K_75.tpr 1838267580 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/373K_75.trr 295647 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/Rg.xvg 14784 05-27-2015 10:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/Rg_index.ndx 1330 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/bonds.xvg 894 05-27-2015 10:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/calc_Rg.sh 1894 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/calc_dist.sh 375 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/cgPEO_373K_75_Prodrun.o3830792 6272 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/cgPEO_calcRg.o4026533 46470 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/cgPEO_calcdist.o3845639 94019 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/distance.xvg 41696 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/grompp.log 75606 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/index.ndx 10380 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/mdout-373K_75.mdp 1813074 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/mdrun.log 10603 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/mol_types_373K_75.itp 230 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/qsub_xv_calcdist.sh 32033 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/rdf_C-C.xvg 32036 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/rdf_C-Na.xvg 32034 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/rdf_C-S.xvg 32035 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/rdf_Na-Na.xvg 32034 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/rdf_S-Na.xvg 32035 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/run_gmx.sh 409584 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/state.cpt 409584 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/state_prev.cpt 389098 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/table.xvg 58362 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/table_C_C.xvg 58588 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/table_C_Na.xvg 58327 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/table_C_S.xvg 58329 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/table_Na_Na.xvg 58688 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/table_S_Na.xvg 58297 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/table_S_S.xvg 10100 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_75/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/ 0 02-02-2015 08:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/ 6100 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/#mdrun.log.1# 240616 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/373K_83.1frame.gro 240615 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/373K_83.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/373K_83.Emin.mdp 825052 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/373K_83.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/373K_83.top 315028 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/373K_83.tpr 256772 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/373K_83.trr 103 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/cgPEO_373K_83_Emin.o3872918 41568 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/index.ndx 10401 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/mdout-373K_83.mdp 619756 02-02-2015 08:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/mol_types_373K_83.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/run_gmx.sh 389098 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/table.xvg 58362 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/table_C_C.xvg 58588 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/table_C_Na.xvg 58327 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/table_C_S.xvg 58329 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/table_Na_Na.xvg 58688 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/table_S_Na.xvg 58297 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/table_S_S.xvg 10100 02-02-2015 08:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Emin/table_b0.xvg 0 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/ 7533 02-02-2015 09:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/373K_83.Equil.mdp 368919 02-02-2015 09:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/373K_83.confout.gro 56876 02-02-2015 09:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/373K_83.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/373K_83.top 315028 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/373K_83.tpr 19638876 02-02-2015 09:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/373K_83.trr 373 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/cgPEO_373K_83_Equil.o3872921 41708 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/index.ndx 10384 02-02-2015 08:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/mdout-373K_83.mdp 35381 02-02-2015 09:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/mol_types_373K_83.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/run_gmx.sh 427080 02-02-2015 09:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/state.cpt 427080 02-02-2015 09:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/state_prev.cpt 389098 02-02-2015 08:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/table.xvg 58362 02-02-2015 08:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/table_C_C.xvg 58588 02-02-2015 08:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/table_C_Na.xvg 58327 02-02-2015 08:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/table_C_S.xvg 58329 02-02-2015 08:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/table_Na_Na.xvg 58688 02-02-2015 08:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/table_S_Na.xvg 58297 02-02-2015 08:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/table_S_S.xvg 10100 02-02-2015 08:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Equil/table_b0.xvg 0 05-27-2015 11:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/ 7552 02-02-2015 19:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/#mdrun.log.1# 368919 02-02-2015 19:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/373K_83.confout.gro 5541476 02-02-2015 19:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/373K_83.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/373K_83.mdp 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/373K_83.top 315028 02-02-2015 15:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/373K_83.tpr --------- ------- 3620115462 188 files ===================================================== Content of ZIP archive 09.23.14-038.zip ===================================================== Archive: 09.23.14-038.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 02-02-2015 19:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/373K_83.trr 295657 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/Rg.xvg 14784 05-27-2015 10:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/Rg_index.ndx 1330 02-03-2015 13:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/bonds.xvg 894 05-27-2015 10:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/calc_dist.sh 375 02-02-2015 15:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/cgPEO_373K_83_Prodrun.o3873044 6265 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/cgPEO_calcRg.o4026532 46351 02-03-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/cgPEO_calcdist.o3875080 94019 02-03-2015 13:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/distance.xvg 41718 02-02-2015 15:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/index.ndx 10380 02-02-2015 15:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/mdout-373K_83.mdp 1813308 02-02-2015 19:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/mol_types_373K_83.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/qsub_xv_calcdist.sh 31966 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/rdf_C-C.xvg 31970 02-03-2015 13:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/rdf_C-Na.xvg 31967 02-03-2015 13:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/rdf_C-S.xvg 31970 02-03-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/rdf_Na-Na.xvg 31969 02-03-2015 13:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/rdf_S-Na.xvg 31967 02-03-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/run_gmx.sh 427080 02-02-2015 19:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/state.cpt 427080 02-02-2015 19:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/state_prev.cpt 389098 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/table.xvg 58362 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/table_C_C.xvg 58588 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/table_C_S.xvg 58329 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/table_S_S.xvg 10100 02-02-2015 11:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_373K_83/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/ 0 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/ 6099 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/#mdrun.log.1# 262487 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/398K_100.1frame.gro 262485 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/398K_100.Emin.gro 2045 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/398K_100.Emin.mdp 360292 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/398K_100.edr 1393 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/398K_100.top 306228 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/398K_100.tpr 280100 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/398K_100.trr 103 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/cgPEO_398K_100_Emin.o3872964 3239 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/grompp.log 82987 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/index.ndx 10387 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/mdout-398K_100.mdp 313950 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/mol_types_398K_100.itp 227 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/qsub_cgsim_Emin.sh 2102 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/run_gmx.sh 389098 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/table.xvg 58362 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/table_C_C.xvg 58588 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/table_C_Na.xvg 58327 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/table_C_S.xvg 58329 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/table_Na_Na.xvg 58688 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/table_S_Na.xvg 58297 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/table_S_S.xvg 10100 02-02-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Emin/table_b0.xvg 0 02-02-2015 15:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/ 7540 02-02-2015 11:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/#mdrun.log.1# 2026 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/398K_100.Equil.mdp 402453 02-02-2015 11:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/398K_100.confout.gro 49460 02-02-2015 11:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/398K_100.edr 1393 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/398K_100.top 306228 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/398K_100.tpr 21423468 02-02-2015 11:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/398K_100.trr 375 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/cgPEO_398K_100_Equil.o3872980 3335 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/grompp.log 82987 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/index.ndx 10370 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/mdout-398K_100.mdp 34779 02-02-2015 11:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/mol_types_398K_100.itp 229 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/qsub_cgsim_Equil.sh 2112 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/run_gmx.sh 461928 02-02-2015 11:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/state.cpt 461928 02-02-2015 11:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/state_prev.cpt 389098 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/table.xvg 58362 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/table_C_C.xvg 58588 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/table_C_Na.xvg 58327 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/table_C_S.xvg 58329 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/table_Na_Na.xvg 58688 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/table_S_Na.xvg 58297 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/table_S_S.xvg 10100 02-02-2015 10:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Equil/table_b0.xvg 0 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/ 7584 02-02-2015 23:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/#mdrun.log.1# 402453 02-02-2015 23:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/398K_100.confout.gro 4821260 02-02-2015 23:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/398K_100.edr 2029 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/398K_100.mdp 1393 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/398K_100.top 306228 02-02-2015 19:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/398K_100.tpr 2100760068 02-02-2015 23:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/398K_100.trr 295659 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/Rg_index.ndx 1330 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/bonds.xvg 895 05-27-2015 10:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/calc_Rg.sh 1907 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/calc_dist.sh 375 02-02-2015 19:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/cgPEO_398K_100_Prodrun.o3873050 6330 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/cgPEO_calcRg.o4026530 25817 02-03-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/cgPEO_calcdist.o3875086 94019 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/distance.xvg 3382 02-02-2015 19:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/grompp.log 82987 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/index.ndx 10366 02-02-2015 19:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/mdout-398K_100.mdp 1812773 02-02-2015 23:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/mol_types_398K_100.itp 231 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/qsub_xv_calcdist.sh 32146 02-03-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/rdf_Na-Na.xvg 32143 02-03-2015 13:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/rdf_S-Na.xvg 32146 02-03-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/rdf_S-S.xvg 2110 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/run_gmx.sh 461928 02-02-2015 23:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/state.cpt 461928 02-02-2015 23:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/state_prev.cpt 389098 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/table.xvg 58362 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/table_C_C.xvg 58588 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/table_C_S.xvg 58329 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/table_S_S.xvg 10100 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_100/Prod_run/table_b0.xvg 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/ 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/ 5798 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/#mdrun.log.1# 164071 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/398K_25.1frame.gro 164070 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/398K_25.Emin.gro 2060 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/398K_25.Emin.mdp 520528 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/398K_25.edr 9792 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/398K_25.top 226728 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/398K_25.tpr 175124 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/398K_25.trr 305 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/cgPEO_398K_25_Emin.o3813900 41581 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/grompp.log 60831 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/index.ndx 10401 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/mdout-398K_25.mdp 393680 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/mol_types_398K_25.itp 226 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/run_gmx.sh 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Emin/table_b0.xvg 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/ 7413 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/#mdrun.log.1# 2041 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/398K_25.Equil.mdp 251550 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/398K_25.confout.gro 56876 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/398K_25.edr 9792 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/398K_25.top 226728 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/398K_25.tpr 13392804 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/398K_25.trr 642 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/cgPEO_398K_25_Equil.o3813904 41709 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/grompp.log 60831 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/index.ndx 10384 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/mdout-398K_25.mdp 35204 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/mol_types_398K_25.itp 228 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/run_gmx.sh 304608 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/state.cpt 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Equil/table_b0.xvg 0 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/ 7530 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/#mdrun.log.1# 251550 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/398K_25.confout.gro 5541476 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/398K_25.edr 2044 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/398K_25.mdp 9792 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/398K_25.top 226728 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/398K_25.tpr --------- ------- 4090789833 184 files ===================================================== Content of ZIP archive 09.23.14-039.zip ===================================================== Archive: 09.23.14-039.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/398K_25.trr 295624 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/Rg_index.ndx 1330 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/bonds.xvg 894 05-27-2015 10:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/calc_Rg.sh 1894 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/calc_dist.sh 642 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/cgPEO_398K_25_Prodrun.o3830795 6254 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/cgPEO_calcRg.o4026523 46454 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/cgPEO_calcdist.o3845641 94019 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/distance.xvg 41689 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/grompp.log 60831 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/index.ndx 10380 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/mdout-398K_25.mdp 1812939 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/mol_types_398K_25.itp 230 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/qsub_xv_calcdist.sh 31881 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/rdf_C-C.xvg 31879 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/rdf_C-Na.xvg 31879 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/rdf_C-S.xvg 31881 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/rdf_Na-Na.xvg 31879 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/rdf_S-Na.xvg 31878 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/run_gmx.sh 304608 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/state.cpt 304608 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/state_prev.cpt 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_25/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/ 0 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/ 5783 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/#mdrun.log.1# 181081 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/398K_38.1frame.gro 181080 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/398K_38.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/398K_38.Emin.mdp 201352 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/398K_38.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/398K_38.top 246508 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/398K_38.tpr 193268 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/398K_38.trr 38 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/cgPEO_398K_38_Emin.o3872929 41618 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/index.ndx 10401 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/mdout-398K_38.mdp 158659 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/mol_types_398K_38.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/run_gmx.sh 389098 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/table.xvg 58362 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/table_C_C.xvg 58588 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/table_C_Na.xvg 58327 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/table_C_S.xvg 58329 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/table_Na_Na.xvg 58688 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/table_S_Na.xvg 58297 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/table_S_S.xvg 10100 02-02-2015 09:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Emin/table_b0.xvg 0 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/ 7527 02-02-2015 10:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/398K_38.Equil.mdp 277632 02-02-2015 10:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/398K_38.confout.gro 56876 02-02-2015 10:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/398K_38.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/398K_38.top 246508 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/398K_38.tpr 14780820 02-02-2015 10:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/398K_38.trr 375 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/cgPEO_398K_38_Equil.o3872950 41697 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/index.ndx 10384 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/mdout-398K_38.mdp 35380 02-02-2015 10:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/mol_types_398K_38.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/run_gmx.sh 331824 02-02-2015 10:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/state.cpt 331824 02-02-2015 10:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/state_prev.cpt 389098 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/table.xvg 58362 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/table_C_C.xvg 58588 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/table_C_Na.xvg 58327 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/table_C_S.xvg 58329 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/table_Na_Na.xvg 58688 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/table_S_Na.xvg 58297 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/table_S_S.xvg 10100 02-02-2015 10:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Equil/table_b0.xvg 0 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/ 7529 02-02-2015 21:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/#mdrun.log.1# 277632 02-02-2015 21:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/398K_38.confout.gro 5541476 02-02-2015 21:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/398K_38.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/398K_38.mdp 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/398K_38.top 246508 02-02-2015 19:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/398K_38.tpr 1449389820 02-02-2015 21:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/398K_38.trr 295639 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/Rg_index.ndx 1330 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/bonds.xvg 894 05-27-2015 10:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/calc_dist.sh 372 02-02-2015 19:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/cgPEO_398K_38_Prodrun.o3873047 6259 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/cgPEO_calcRg.o4026525 46425 02-03-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/cgPEO_calcdist.o3875083 94019 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/distance.xvg 41699 02-02-2015 19:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/index.ndx 10380 02-02-2015 19:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/mdout-398K_38.mdp 1812939 02-02-2015 21:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/mol_types_398K_38.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/qsub_xv_calcdist.sh 31992 02-03-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/rdf_C-C.xvg 31991 02-03-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/rdf_C-Na.xvg 31989 02-03-2015 13:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/rdf_C-S.xvg 31990 02-03-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/rdf_Na-Na.xvg 31989 02-03-2015 13:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/rdf_S-Na.xvg 31991 02-03-2015 13:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/run_gmx.sh 331824 02-02-2015 21:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/state.cpt 331824 02-02-2015 21:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/state_prev.cpt 389098 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/table.xvg 58362 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/table_C_C.xvg 58588 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/table_C_S.xvg 58329 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/table_S_S.xvg 10100 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_38/Prod_run/table_b0.xvg 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/ 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/ 5770 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/#mdrun.log.1# 196876 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/398K_50.1frame.gro 196875 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/398K_50.Emin.gro 2060 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/398K_50.Emin.mdp 315004 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/398K_50.edr 9790 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/398K_50.top 264676 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/398K_50.tpr 210116 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/398K_50.trr 38 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/cgPEO_398K_50_Emin.o3813902 41600 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/grompp.log 68220 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/index.ndx 10401 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/mdout-398K_50.mdp 242367 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/mol_types_398K_50.itp 226 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/run_gmx.sh 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Emin/table_b0.xvg 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/ 7412 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/#mdrun.log.1# 2041 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/398K_50.Equil.mdp 301851 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/398K_50.confout.gro 56876 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/398K_50.edr 9790 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/398K_50.top 264676 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/398K_50.tpr 16069692 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/398K_50.trr 375 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/cgPEO_398K_50_Equil.o3813906 41702 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/grompp.log 68220 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/index.ndx 10384 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/mdout-398K_50.mdp 35268 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/mol_types_398K_50.itp 228 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/run_gmx.sh 357096 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/state.cpt 357096 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/state_prev.cpt 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Equil/table_b0.xvg 0 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/ 7554 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/#mdrun.log.1# 301851 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/398K_50.confout.gro 5541476 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/398K_50.edr 2044 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/398K_50.mdp 9790 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/398K_50.top 264676 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/398K_50.tpr 1575775092 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/398K_50.trr 295624 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/Rg_index.ndx 1330 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/bonds.xvg 894 05-27-2015 10:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/calc_Rg.sh 1894 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/calc_dist.sh 375 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/cgPEO_398K_50_Prodrun.o3830796 6268 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/cgPEO_calcRg.o4026526 46435 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/cgPEO_calcdist.o3845642 94019 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/distance.xvg 41687 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/grompp.log 68220 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/index.ndx 10380 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/mdout-398K_50.mdp 1813064 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/mol_types_398K_50.itp 230 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/qsub_xv_calcdist.sh 32100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/rdf_C-C.xvg 32102 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/rdf_C-Na.xvg 32101 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/rdf_C-S.xvg 32100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/rdf_Na-Na.xvg 32100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/rdf_S-Na.xvg 32100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/run_gmx.sh 357096 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/state.cpt 357096 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/state_prev.cpt 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_50/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/ 0 02-02-2015 10:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/ 5820 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/#mdrun.log.1# 213886 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/398K_63.1frame.gro 213885 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/398K_63.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/398K_63.Emin.mdp 147892 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/398K_63.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/398K_63.top 284452 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/398K_63.tpr 228260 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/398K_63.trr 38 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/cgPEO_398K_63_Emin.o3872955 41659 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/index.ndx 10401 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/mdout-398K_63.mdp 119370 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/mol_types_398K_63.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/run_gmx.sh 389098 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/table.xvg 58362 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/table_C_C.xvg 58588 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/table_C_Na.xvg 58327 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/table_C_S.xvg 58329 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/table_Na_Na.xvg 58688 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/table_S_Na.xvg 58297 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/table_S_S.xvg 10100 02-02-2015 10:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Emin/table_b0.xvg 0 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/ 7548 02-02-2015 10:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/398K_63.Equil.mdp 327933 02-02-2015 10:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/398K_63.confout.gro 56876 02-02-2015 10:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/398K_63.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/398K_63.top 284452 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/398K_63.tpr 17457708 02-02-2015 10:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/398K_63.trr 375 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/cgPEO_398K_63_Equil.o3872961 41699 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/index.ndx 10384 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/mdout-398K_63.mdp 35393 02-02-2015 10:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/mol_types_398K_63.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/run_gmx.sh 384312 02-02-2015 10:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/state.cpt 384312 02-02-2015 10:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/state_prev.cpt 389098 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/table.xvg 58362 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/table_C_C.xvg 58588 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/table_C_Na.xvg 58327 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/table_C_S.xvg 58329 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/table_Na_Na.xvg 58688 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/table_S_Na.xvg 58297 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/table_S_S.xvg 10100 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Equil/table_b0.xvg 0 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/ 7535 02-02-2015 22:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/#mdrun.log.1# 327933 02-02-2015 22:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/398K_63.confout.gro 5541476 02-02-2015 22:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/398K_63.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/398K_63.mdp 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/398K_63.top 284452 02-02-2015 19:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/398K_63.tpr --------- ------- 4430500211 282 files ===================================================== Content of ZIP archive 09.23.14-040.zip ===================================================== Archive: 09.23.14-040.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 02-02-2015 22:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/398K_63.trr 295643 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/Rg_index.ndx 1330 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/bonds.xvg 894 05-27-2015 10:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/calc_dist.sh 373 02-02-2015 19:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/cgPEO_398K_63_Prodrun.o3873048 6280 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/cgPEO_calcRg.o4026527 46398 02-03-2015 13:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/cgPEO_calcdist.o3875084 94019 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/distance.xvg 41679 02-02-2015 19:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/index.ndx 10380 02-02-2015 19:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/mdout-398K_63.mdp 1813120 02-02-2015 22:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/mol_types_398K_63.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/qsub_xv_calcdist.sh 32012 02-03-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/rdf_C-C.xvg 32013 02-03-2015 13:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/rdf_C-Na.xvg 32013 02-03-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/rdf_C-S.xvg 32012 02-03-2015 13:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/rdf_Na-Na.xvg 32012 02-03-2015 13:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/rdf_S-Na.xvg 32013 02-03-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/run_gmx.sh 384312 02-02-2015 22:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/state.cpt 384312 02-02-2015 22:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/state_prev.cpt 389098 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/table.xvg 58362 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/table_C_C.xvg 58588 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/table_C_S.xvg 58329 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/table_S_S.xvg 10100 02-02-2015 11:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_63/Prod_run/table_b0.xvg 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/ 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/ 6112 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/#mdrun.log.1# 229682 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/398K_75.1frame.gro 229680 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/398K_75.Emin.gro 2060 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/398K_75.Emin.mdp 465880 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/398K_75.edr 9791 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/398K_75.top 302548 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/398K_75.tpr 245108 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/398K_75.trr 104 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/cgPEO_398K_75_Emin.o3813905 41640 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/grompp.log 75606 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/index.ndx 10401 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/mdout-398K_75.mdp 355354 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/mdrun.log 10603 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/mol_types_398K_75.itp 226 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/run_gmx.sh 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Emin/table_b0.xvg 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/ 7523 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/#mdrun.log.1# 2041 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/398K_75.Equil.mdp 352152 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/398K_75.confout.gro 56876 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/398K_75.edr 9791 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/398K_75.top 302548 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/398K_75.tpr 18746580 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/398K_75.trr 375 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/cgPEO_398K_75_Equil.o3813909 41693 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/grompp.log 75606 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/index.ndx 10384 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/mdout-398K_75.mdp 35379 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/mdrun.log 10603 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/mol_types_398K_75.itp 228 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/run_gmx.sh 409584 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/state.cpt 409584 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/state_prev.cpt 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Equil/table_b0.xvg 0 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/ 7400 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/#mdrun.log.1# 352152 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/398K_75.confout.gro 5541476 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/398K_75.edr 2044 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/398K_75.mdp 9791 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/398K_75.top 302548 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/398K_75.tpr 1838267580 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/398K_75.trr 295649 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/Rg_index.ndx 1330 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/bonds.xvg 894 05-27-2015 10:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/calc_Rg.sh 1894 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/calc_dist.sh 367 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/cgPEO_398K_75_Prodrun.o3830797 6265 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/cgPEO_calcRg.o4026528 46448 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/cgPEO_calcdist.o3845643 94019 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/distance.xvg 41690 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/grompp.log 75606 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/index.ndx 10380 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/mdout-398K_75.mdp 1813129 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/mdrun.log 10603 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/mol_types_398K_75.itp 230 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/qsub_xv_calcdist.sh 32145 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/rdf_C-C.xvg 32144 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/rdf_C-Na.xvg 32145 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/rdf_C-S.xvg 32146 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/rdf_Na-Na.xvg 32144 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/rdf_S-Na.xvg 32146 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/run_gmx.sh 409584 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/state.cpt 409584 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/state_prev.cpt 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_75/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/ 0 02-02-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/ 6114 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/#mdrun.log.1# 240616 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/398K_83.1frame.gro 240615 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/398K_83.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/398K_83.Emin.mdp 282136 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/398K_83.edr 9792 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/398K_83.top 315028 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/398K_83.tpr 256772 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/398K_83.trr 103 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/cgPEO_398K_83_Emin.o3872962 41588 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/index.ndx 10401 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/mdout-398K_83.mdp 220127 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/mol_types_398K_83.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/run_gmx.sh 389098 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/table.xvg 58362 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/table_C_C.xvg 58588 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/table_C_Na.xvg 58327 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/table_C_S.xvg 58329 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/table_Na_Na.xvg 58688 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/table_S_Na.xvg 58297 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/table_S_S.xvg 10100 02-02-2015 10:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Emin/table_b0.xvg 0 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/ 7430 02-02-2015 10:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/398K_83.Equil.mdp 368919 02-02-2015 10:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/398K_83.confout.gro 56876 02-02-2015 10:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/398K_83.edr 9792 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/398K_83.top 315028 02-02-2015 10:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/398K_83.tpr 19638876 02-02-2015 10:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/398K_83.trr 375 02-02-2015 10:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/cgPEO_398K_83_Equil.o3872963 41681 02-02-2015 10:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/index.ndx 10384 02-02-2015 10:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/mdout-398K_83.mdp 35264 02-02-2015 10:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/mol_types_398K_83.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/run_gmx.sh 427080 02-02-2015 10:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/state.cpt 427080 02-02-2015 10:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/state_prev.cpt 389098 02-02-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/table.xvg 58362 02-02-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/table_C_C.xvg 58588 02-02-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/table_C_Na.xvg 58327 02-02-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/table_C_S.xvg 58329 02-02-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/table_Na_Na.xvg 58688 02-02-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/table_S_Na.xvg 58297 02-02-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/table_S_S.xvg 10100 02-02-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Equil/table_b0.xvg 0 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/ 7550 02-02-2015 23:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/#mdrun.log.1# 368919 02-02-2015 23:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/398K_83.confout.gro 5541476 02-02-2015 23:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/398K_83.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/398K_83.mdp 9792 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/398K_83.top 315028 02-02-2015 19:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/398K_83.tpr --------- ------- 3619517793 188 files ===================================================== Content of ZIP archive 09.23.14-041.zip ===================================================== Archive: 09.23.14-041.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 02-02-2015 23:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/398K_83.trr 295643 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/Rg_index.ndx 1330 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/bonds.xvg 894 05-27-2015 10:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/calc_dist.sh 375 02-02-2015 19:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/cgPEO_398K_83_Prodrun.o3873049 6291 05-27-2015 11:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/cgPEO_calcRg.o4026529 46363 02-03-2015 13:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/cgPEO_calcdist.o3875085 94019 02-03-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/distance.xvg 41690 02-02-2015 19:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/index.ndx 10380 02-02-2015 19:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/mdout-398K_83.mdp 1813251 02-02-2015 23:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/mol_types_398K_83.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/qsub_xv_calcdist.sh 32187 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/rdf_C-C.xvg 32189 02-03-2015 13:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/rdf_C-Na.xvg 32188 02-03-2015 13:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/rdf_C-S.xvg 32188 02-03-2015 13:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/rdf_Na-Na.xvg 32189 02-03-2015 13:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/rdf_S-Na.xvg 32190 02-03-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/run_gmx.sh 427080 02-02-2015 23:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/state.cpt 427080 02-02-2015 23:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/state_prev.cpt 389098 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/table.xvg 58362 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/table_C_C.xvg 58588 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/table_C_S.xvg 58329 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/table_S_S.xvg 10100 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_398K_83/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/ 0 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/ 6100 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/#mdrun.log.1# 262487 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/423K_100.1frame.gro 262485 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/423K_100.Emin.gro 2045 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/423K_100.Emin.mdp 161236 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/423K_100.edr 1391 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/423K_100.top 306228 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/423K_100.tpr 280100 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/423K_100.trr 102 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/cgPEO_423K_100_Emin.o3872981 3263 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/grompp.log 82987 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/index.ndx 10387 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/mdout-423K_100.mdp 147183 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/mol_types_423K_100.itp 227 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/qsub_cgsim_Emin.sh 2102 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/run_gmx.sh 389098 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/table.xvg 58362 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/table_C_C.xvg 58588 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/table_C_Na.xvg 58327 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/table_C_S.xvg 58329 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/table_Na_Na.xvg 58688 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/table_S_Na.xvg 58297 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/table_S_S.xvg 10100 02-02-2015 10:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Emin/table_b0.xvg 0 02-02-2015 11:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/ 7418 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/#mdrun.log.1# 2027 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/423K_100.Equil.mdp 402453 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/423K_100.confout.gro 49460 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/423K_100.edr 1391 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/423K_100.top 306228 02-02-2015 10:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/423K_100.tpr 21423468 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/423K_100.trr 367 02-02-2015 10:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/cgPEO_423K_100_Equil.o3872982 3373 02-02-2015 10:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/grompp.log 82987 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/index.ndx 10370 02-02-2015 10:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/mdout-423K_100.mdp 34674 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/mol_types_423K_100.itp 229 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/qsub_cgsim_Equil.sh 2112 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/run_gmx.sh 461928 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/state.cpt 461928 02-02-2015 11:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/state_prev.cpt 389098 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/table.xvg 58362 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/table_C_C.xvg 58588 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/table_C_Na.xvg 58327 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/table_C_S.xvg 58329 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/table_Na_Na.xvg 58688 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/table_S_Na.xvg 58297 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/table_S_S.xvg 10100 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Equil/table_b0.xvg 0 05-27-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/ 7597 02-03-2015 01:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/#mdrun.log.1# 402453 02-03-2015 01:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/423K_100.confout.gro 4821260 02-03-2015 01:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/423K_100.edr 2030 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/423K_100.mdp 1391 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/423K_100.top 306228 02-02-2015 21:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/423K_100.tpr 2100760068 02-03-2015 01:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/423K_100.trr 295641 05-27-2015 10:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/Rg_index.ndx 1311 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/bonds.xvg 895 05-27-2015 10:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/calc_Rg.sh 1907 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/calc_dist.sh 375 02-02-2015 21:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/cgPEO_398K_100_Prodrun.o3873051 6256 05-27-2015 10:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/cgPEO_calcRg.o4026514 25787 02-03-2015 13:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/cgPEO_calcdist.o3875087 94019 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/distance.xvg 3392 02-02-2015 21:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/grompp.log 82987 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/index.ndx 10366 02-02-2015 21:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/mdout-423K_100.mdp 1812786 02-03-2015 01:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/mdrun.log 544 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/mol_types_423K_100.itp 231 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/qsub_xv_calcdist.sh 32409 02-03-2015 13:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/rdf_Na-Na.xvg 32408 02-03-2015 13:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/rdf_S-Na.xvg 32410 02-03-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/rdf_S-S.xvg 2110 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/run_gmx.sh 461928 02-03-2015 01:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/state.cpt 461928 02-03-2015 01:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/state_prev.cpt 389098 02-02-2015 11:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/table.xvg 58362 02-02-2015 11:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/table_C_C.xvg 58588 02-02-2015 11:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/table_C_Na.xvg 58327 02-02-2015 11:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/table_C_S.xvg 58329 02-02-2015 11:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/table_Na_Na.xvg 58688 02-02-2015 11:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/table_S_Na.xvg 58297 02-02-2015 11:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/table_S_S.xvg 10100 02-02-2015 11:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_100/Prod_run/table_b0.xvg 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/ 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/ 5789 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/#mdrun.log.1# 164067 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/423K_25.1frame.gro 164070 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/423K_25.Emin.gro 2060 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/423K_25.Emin.mdp 120964 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/423K_25.edr 9790 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/423K_25.top 226728 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/423K_25.tpr 175124 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/423K_25.trr 38 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/cgPEO_423K_25_Emin.o3813908 41582 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/grompp.log 60831 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/index.ndx 10401 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/mdout-423K_25.mdp 99540 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/mol_types_423K_25.itp 226 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/run_gmx.sh 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Emin/table_b0.xvg 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/ 7529 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/#mdrun.log.1# 2041 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/423K_25.Equil.mdp 251550 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/423K_25.confout.gro 56876 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/423K_25.edr 9790 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/423K_25.top 226728 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/423K_25.tpr 13392804 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/423K_25.trr 375 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/cgPEO_423K_25_Equil.o3813911 41701 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/grompp.log 60831 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/index.ndx 10384 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/mdout-423K_25.mdp 35377 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/mol_types_423K_25.itp 228 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/run_gmx.sh 304608 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/state.cpt 304608 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/state_prev.cpt 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Equil/table_b0.xvg 0 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/ 7523 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/#mdrun.log.1# 251550 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/423K_25.confout.gro 5541476 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/423K_25.edr 2044 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/423K_25.mdp 9790 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/423K_25.top 226728 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/423K_25.tpr --------- ------- 4090036407 185 files ===================================================== Content of ZIP archive 09.23.14-042.zip ===================================================== Archive: 09.23.14-042.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/423K_25.trr 295655 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/Rg_index.ndx 1330 02-02-2015 07:53 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09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/mdout-423K_25.mdp 1812876 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/mol_types_423K_25.itp 230 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/qsub_xv_calcdist.sh 31573 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/rdf_C-C.xvg 31572 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/rdf_C-Na.xvg 31574 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/rdf_C-S.xvg 31572 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/rdf_Na-Na.xvg 31571 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/rdf_S-Na.xvg 31570 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/run_gmx.sh 304608 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/state.cpt 304608 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/state_prev.cpt 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_25/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/ 0 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/ 5779 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/#mdrun.log.1# 181082 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/423K_38.1frame.gro 181080 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/423K_38.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/423K_38.Emin.mdp 89680 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/423K_38.edr 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/423K_38.top 246508 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/423K_38.tpr 193268 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/423K_38.trr 38 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/cgPEO_423K_38_Emin.o3872990 41616 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/index.ndx 10401 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/mdout-423K_38.mdp 76490 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/mol_types_423K_38.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/run_gmx.sh 389098 02-02-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/table.xvg 58362 02-02-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/table_C_C.xvg 58588 02-02-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/table_C_Na.xvg 58327 02-02-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/table_C_S.xvg 58329 02-02-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/table_Na_Na.xvg 58688 02-02-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/table_S_Na.xvg 58297 02-02-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/table_S_S.xvg 10100 02-02-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Emin/table_b0.xvg 0 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/ 7387 02-03-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/423K_38.Equil.mdp 277632 02-03-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/423K_38.confout.gro 56876 02-03-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/423K_38.edr 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/423K_38.top 246508 02-03-2015 13:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/423K_38.tpr 14780820 02-03-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/423K_38.trr 375 02-03-2015 13:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/cgPEO_423K_38_Equil.o3875090 41703 02-03-2015 13:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/index.ndx 10384 02-03-2015 13:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/mdout-423K_38.mdp 35191 02-03-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/mol_types_423K_38.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/run_gmx.sh 331824 02-03-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/state.cpt 389098 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/table.xvg 58362 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/table_C_C.xvg 58588 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/table_C_Na.xvg 58327 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/table_C_S.xvg 58329 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/table_Na_Na.xvg 58688 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/table_S_Na.xvg 58297 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/table_S_S.xvg 10100 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Equil/table_b0.xvg 0 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/ 7520 02-04-2015 13:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/#mdrun.log.1# 277632 02-04-2015 13:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/423K_38.confout.gro 5541476 02-04-2015 13:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/423K_38.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/423K_38.mdp 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/423K_38.top 246508 02-04-2015 10:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/423K_38.tpr 1449389820 02-04-2015 13:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/423K_38.trr 295641 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/Rg_index.ndx 1330 02-05-2015 03:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/bonds.xvg 894 05-27-2015 10:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/calc_dist.sh 375 02-04-2015 10:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/cgPEO_423K_38_Prodrun.o3875951 6255 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/cgPEO_calcRg.o4026521 46489 02-05-2015 04:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/cgPEO_calcdist.o3877662 94019 02-05-2015 03:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/distance.xvg 41693 02-04-2015 10:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/index.ndx 10380 02-04-2015 10:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/mdout-423K_38.mdp 1813056 02-04-2015 13:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/mol_types_423K_38.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/qsub_xv_calcdist.sh 32078 02-05-2015 03:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/rdf_C-C.xvg 32079 02-05-2015 03:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/rdf_C-Na.xvg 32079 02-05-2015 03:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/rdf_C-S.xvg 32078 02-05-2015 04:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/rdf_Na-Na.xvg 32077 02-05-2015 04:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/rdf_S-Na.xvg 32079 02-05-2015 04:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/run_gmx.sh 331824 02-04-2015 13:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/state.cpt 331824 02-04-2015 13:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/state_prev.cpt 389098 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/table.xvg 58362 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/table_C_C.xvg 58588 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/table_C_Na.xvg 58327 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/table_C_S.xvg 58329 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/table_Na_Na.xvg 58688 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/table_S_Na.xvg 58297 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/table_S_S.xvg 10100 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_38/Prod_run/table_b0.xvg 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/ 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/ 5790 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/#mdrun.log.1# 196876 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/423K_50.1frame.gro 196875 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/423K_50.Emin.gro 2060 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/423K_50.Emin.mdp 366880 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/423K_50.edr 9790 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/423K_50.top 264676 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/423K_50.tpr 210116 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/423K_50.trr 38 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/cgPEO_423K_50_Emin.o3813910 41609 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/grompp.log 68220 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/index.ndx 10401 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/mdout-423K_50.mdp 280592 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/mol_types_423K_50.itp 226 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/run_gmx.sh 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Emin/table_b0.xvg 0 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/ 7544 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/#mdrun.log.1# 2041 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/423K_50.Equil.mdp 301851 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/423K_50.confout.gro 56876 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/423K_50.edr 9790 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/423K_50.top 264676 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/423K_50.tpr 16069692 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/423K_50.trr 375 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/cgPEO_423K_50_Equil.o3813913 41714 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/grompp.log 68220 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/index.ndx 10384 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/mdout-423K_50.mdp 35377 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/mol_types_423K_50.itp 228 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/run_gmx.sh 357096 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/state.cpt 357096 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/state_prev.cpt 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Equil/table_b0.xvg 0 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/ 7522 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/#mdrun.log.1# 301851 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/423K_50.confout.gro 5541476 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/423K_50.edr 2044 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/423K_50.mdp 9790 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/423K_50.top 264676 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/423K_50.tpr 1575775092 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/423K_50.trr 295655 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/Rg_index.ndx 1330 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/bonds.xvg 894 05-27-2015 10:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/calc_Rg.sh 1894 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/calc_dist.sh 373 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/cgPEO_423K_50_Prodrun.o3830799 6272 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/cgPEO_calcRg.o4026520 46369 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/cgPEO_calcdist.o3845645 94019 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/distance.xvg 41691 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/grompp.log 68220 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/index.ndx 10380 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/mdout-423K_50.mdp 1812999 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/mdrun.log 10604 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/mol_types_423K_50.itp 230 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/qsub_xv_calcdist.sh 32210 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/rdf_C-C.xvg 32210 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/rdf_C-Na.xvg 32211 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/rdf_C-S.xvg 32209 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/rdf_Na-Na.xvg 32210 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/rdf_S-Na.xvg 32213 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/run_gmx.sh 357096 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/state.cpt 357096 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/state_prev.cpt 389098 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/table.xvg 58362 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/table_C_C.xvg 58588 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/table_C_Na.xvg 58327 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/table_C_S.xvg 58329 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/table_Na_Na.xvg 58688 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/table_S_Na.xvg 58297 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/table_S_S.xvg 10100 02-02-2015 07:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_50/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/ 0 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/ 5815 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/#mdrun.log.1# 213886 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/423K_63.1frame.gro 213885 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/423K_63.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/423K_63.Emin.mdp 182740 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/423K_63.edr 9788 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/423K_63.top 284452 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/423K_63.tpr 228260 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/423K_63.trr 38 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/cgPEO_423K_63_Emin.o3872989 41616 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/index.ndx 10401 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/mdout-423K_63.mdp 144908 02-02-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/mol_types_423K_63.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/run_gmx.sh 389098 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/table.xvg 58362 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/table_C_C.xvg 58588 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/table_C_Na.xvg 58327 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/table_C_S.xvg 58329 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/table_Na_Na.xvg 58688 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/table_S_Na.xvg 58297 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/table_S_S.xvg 10100 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Emin/table_b0.xvg 0 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/ 7405 02-03-2015 13:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/423K_63.Equil.mdp 327933 02-03-2015 13:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/423K_63.confout.gro 56876 02-03-2015 13:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/423K_63.edr 9788 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/423K_63.top 284452 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/423K_63.tpr 17457708 02-03-2015 13:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/423K_63.trr 375 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/cgPEO_423K_63_Equil.o3875089 41707 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/index.ndx 10384 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/mdout-423K_63.mdp 35267 02-03-2015 13:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/mol_types_423K_63.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/run_gmx.sh 384312 02-03-2015 13:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/state.cpt 384312 02-03-2015 13:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/state_prev.cpt 389098 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/table.xvg 58362 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/table_C_C.xvg 58588 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/table_C_Na.xvg 58327 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/table_C_S.xvg 58329 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/table_Na_Na.xvg 58688 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/table_S_Na.xvg 58297 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/table_S_S.xvg 10100 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Equil/table_b0.xvg 0 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/ 7411 02-04-2015 13:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/#mdrun.log.1# 327933 02-04-2015 13:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/423K_63.confout.gro 5541476 02-04-2015 13:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/423K_63.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/423K_63.mdp 9788 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/423K_63.top 284452 02-04-2015 10:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/423K_63.tpr --------- ------- 4430123597 281 files ===================================================== Content of ZIP archive 09.23.14-043.zip ===================================================== Archive: 09.23.14-043.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 02-04-2015 13:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/423K_63.trr 295647 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/Rg_index.ndx 1330 02-05-2015 03:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/bonds.xvg 894 05-27-2015 10:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/calc_dist.sh 375 02-04-2015 10:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/cgPEO_423K_63_Prodrun.o3875950 6285 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/cgPEO_calcRg.o4026519 46692 02-05-2015 04:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/cgPEO_calcdist.o3877663 94019 02-05-2015 03:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/distance.xvg 41693 02-04-2015 10:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/grompp.log 72050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/index.ndx 10380 02-04-2015 10:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/mdout-423K_63.mdp 1813004 02-04-2015 13:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/mol_types_423K_63.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/qsub_xv_calcdist.sh 32296 02-05-2015 03:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/rdf_C-C.xvg 32299 02-05-2015 03:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/rdf_C-Na.xvg 32298 02-05-2015 03:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/rdf_C-S.xvg 32300 02-05-2015 04:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/rdf_Na-Na.xvg 32297 02-05-2015 04:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/rdf_S-Na.xvg 32299 02-05-2015 04:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/run_gmx.sh 384312 02-04-2015 13:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/state.cpt 384312 02-04-2015 13:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/state_prev.cpt 389098 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/table.xvg 58362 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/table_C_C.xvg 58588 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/table_C_Na.xvg 58327 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/table_C_S.xvg 58329 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/table_Na_Na.xvg 58688 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/table_S_Na.xvg 58297 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/table_S_S.xvg 10100 02-04-2015 10:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_63/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/ 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/ 5770 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/#mdrun.log.1# 229682 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/423K_75.1frame.gro 229680 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/423K_75.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/423K_75.Emin.mdp 134428 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/423K_75.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/423K_75.top 302548 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/423K_75.tpr 245108 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/423K_75.trr 38 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/cgPEO_423K_75_Emin.o3813912 41599 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/index.ndx 10401 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/mdout-423K_75.mdp 109443 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/mol_types_423K_75.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/run_gmx.sh 389098 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/table.xvg 58362 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/table_C_C.xvg 58588 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/table_C_Na.xvg 58327 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/table_C_S.xvg 58329 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/table_Na_Na.xvg 58688 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/table_S_Na.xvg 58297 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/table_S_S.xvg 10100 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Emin/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/ 7537 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/423K_75.Equil.mdp 352152 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/423K_75.confout.gro 56876 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/423K_75.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/423K_75.top 302548 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/423K_75.tpr 18746580 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/423K_75.trr 375 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/cgPEO_423K_75_Equil.o3813914 41698 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/index.ndx 10384 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/mdout-423K_75.mdp 35384 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/mol_types_423K_75.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/run_gmx.sh 409584 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/state.cpt 409584 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/state_prev.cpt 389098 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/table.xvg 58362 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/table_C_C.xvg 58588 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/table_C_Na.xvg 58327 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/table_C_S.xvg 58329 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/table_Na_Na.xvg 58688 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/table_S_Na.xvg 58297 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/table_S_S.xvg 10100 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Equil/table_b0.xvg 0 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/ 7398 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/#mdrun.log.1# 352152 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/423K_75.confout.gro 5541476 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/423K_75.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/423K_75.mdp 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/423K_75.top 302548 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/423K_75.tpr 1838267580 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/423K_75.trr 295652 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/Rg_index.ndx 1330 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/bonds.xvg 894 05-27-2015 10:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/calc_dist.sh 368 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/cgPEO_423K_75_Prodrun.o3830800 6275 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/cgPEO_calcRg.o4026518 46385 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/cgPEO_calcdist.o3845646 94019 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/distance.xvg 41698 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/index.ndx 10380 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/mdout-423K_75.mdp 1813067 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/mol_types_423K_75.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/qsub_xv_calcdist.sh 32296 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/rdf_C-C.xvg 32298 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/rdf_C-Na.xvg 32301 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/rdf_C-S.xvg 32299 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/rdf_Na-Na.xvg 32298 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/rdf_S-Na.xvg 32299 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/run_gmx.sh 409584 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/state.cpt 409584 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/state_prev.cpt 389098 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/table.xvg 58362 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/table_C_C.xvg 58588 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/table_C_Na.xvg 58327 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/table_C_S.xvg 58329 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/table_Na_Na.xvg 58688 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/table_S_Na.xvg 58297 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/table_S_S.xvg 10100 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_75/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/ 0 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/ 5806 02-02-2015 10:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/#mdrun.log.1# 240616 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/423K_83.1frame.gro 240615 02-02-2015 10:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/423K_83.Emin.gro 2060 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/423K_83.Emin.mdp 413212 02-02-2015 10:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/423K_83.edr 9783 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/423K_83.top 315028 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/423K_83.tpr 256772 02-02-2015 10:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/423K_83.trr 38 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/cgPEO_423K_83_Emin.o3872983 41593 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/index.ndx 10401 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/mdout-423K_83.mdp 314716 02-02-2015 10:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/mol_types_423K_83.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/run_gmx.sh 389098 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/table.xvg 58362 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/table_C_C.xvg 58588 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/table_C_Na.xvg 58327 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/table_C_S.xvg 58329 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/table_Na_Na.xvg 58688 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/table_S_Na.xvg 58297 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/table_S_S.xvg 10100 02-02-2015 10:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Emin/table_b0.xvg 0 02-04-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/ 7399 02-02-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/#mdrun.log.1# 2041 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/423K_83.Equil.mdp 368919 02-02-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/423K_83.confout.gro 56876 02-02-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/423K_83.edr 9783 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/423K_83.top 315028 02-02-2015 11:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/423K_83.tpr 19638876 02-02-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/423K_83.trr 374 02-02-2015 11:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/cgPEO_423K_83_Equil.o3872988 41691 02-02-2015 11:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/index.ndx 10384 02-02-2015 11:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/mdout-423K_83.mdp 35262 02-02-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/mol_types_423K_83.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/run_gmx.sh 427080 02-02-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/state.cpt 427080 02-02-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/state_prev.cpt 389098 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/table.xvg 58362 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/table_C_C.xvg 58588 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/table_C_Na.xvg 58327 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/table_C_S.xvg 58329 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/table_Na_Na.xvg 58688 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/table_S_Na.xvg 58297 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/table_S_S.xvg 10100 02-02-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Equil/table_b0.xvg 0 05-27-2015 10:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/ 7566 02-04-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/#mdrun.log.1# 368919 02-04-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/423K_83.confout.gro 5541476 02-04-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/423K_83.edr 2044 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/423K_83.mdp 9783 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/423K_83.top 315028 02-04-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/423K_83.tpr --------- ------- 3619167992 188 files ===================================================== Content of ZIP archive 09.23.14-044.zip ===================================================== Archive: 09.23.14-044.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 02-04-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/423K_83.trr 295664 05-27-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/Rg.xvg 14784 05-27-2015 10:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/Rg_index.ndx 1330 02-05-2015 03:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/bonds.xvg 894 05-27-2015 10:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/calc_Rg.sh 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/calc_dist.sh 363 02-04-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/cgPEO_423K_83_Prodrun.o3875949 6276 05-27-2015 10:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/cgPEO_calcRg.o4026517 46430 02-05-2015 04:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/cgPEO_calcdist.o3877664 94019 02-05-2015 03:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/distance.xvg 41702 02-04-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/grompp.log 78069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/index.ndx 10380 02-04-2015 10:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/mdout-423K_83.mdp 1813254 02-04-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/mol_types_423K_83.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 10:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/qsub_xv_calcRg.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/qsub_xv_calcdist.sh 32362 02-05-2015 03:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/rdf_C-C.xvg 32365 02-05-2015 03:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/rdf_C-Na.xvg 32365 02-05-2015 03:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/rdf_C-S.xvg 32364 02-05-2015 04:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/rdf_Na-Na.xvg 32364 02-05-2015 04:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/rdf_S-Na.xvg 32365 02-05-2015 04:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/run_gmx.sh 427080 02-04-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/state.cpt 427080 02-04-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/state_prev.cpt 389098 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/table.xvg 58362 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/table_C_C.xvg 58588 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/table_C_Na.xvg 58327 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/table_C_S.xvg 58329 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/table_Na_Na.xvg 58688 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/table_S_Na.xvg 58297 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/table_S_S.xvg 10100 02-03-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/cgsim_423K_83/Prod_run/table_b0.xvg 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/ 391 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/copy_forces.sh 3162 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_CC.dat 3193 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_CNa.dat 3131 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_CS.dat 3193 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_NaNa.dat 3286 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_SNa.dat 3069 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_SS.dat 2108 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_bond.dat 2108 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_struct.BondStretch.total.bonds.dat 3162 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_struct.Pair_Interaction.total.CC.dat 3193 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_struct.Pair_Interaction.total.CS.dat 3193 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_struct.Pair_Interaction.total.SS.dat 3949 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/f_zero.dat 1051 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/run.make_gmx4_table.sh 389098 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/table.xvg 58362 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/table_C_C.xvg 58588 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/table_C_Na.xvg 58327 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/table_C_S.xvg 58329 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/table_Na_Na.xvg 58688 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/table_S_Na.xvg 58297 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/table_S_S.xvg 10100 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/edit/table_b0.xvg 2108 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_forces.BondStretch.total.bonds.dat 3162 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_forces.Pair_Interaction.total.CC.dat 3193 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_forces.Pair_Interaction.total.CNa.dat 3131 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_forces.Pair_Interaction.total.CS.dat 3193 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_forces.Pair_Interaction.total.NaNa.dat 3286 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_forces.Pair_Interaction.total.SNa.dat 3069 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_forces.Pair_Interaction.total.SS.dat 2108 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_struct.BondStretch.total.bonds.dat 3162 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_struct.Pair_Interaction.total.CC.dat 3193 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_struct.Pair_Interaction.total.CNa.dat 3131 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_struct.Pair_Interaction.total.CS.dat 3193 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_struct.Pair_Interaction.total.NaNa.dat 3286 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_struct.Pair_Interaction.total.SNa.dat 3069 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/f_struct.Pair_Interaction.total.SS.dat 468 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/inp.txt 75904 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/log.txt 2961 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/out.total.txt 1883 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/par.txt 2069 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/qsub.sh 2076 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/qsub_xv.sh 18 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.FF.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.L.dat 4876394 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.M.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.M2.dat 5410902 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.M_cnt.dat 7 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.Nf.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.b_forces.dat 13420 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.b_struct.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.d2M.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.d2b.dat 13673 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.g.dat 14657 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.g_cnt.dat 14657 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save.rescale.dat 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/ 18 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.FF.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.L.dat 4851612 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.M.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.M2.dat 5342245 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.M_cnt.dat 7 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.Nf.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.b_forces.dat 13409 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.b_struct.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.d2M.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.d2b.dat 13668 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.g.dat 14454 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.g_cnt.dat 14454 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_25/save.rescale.dat 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/ 18 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.FF.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.L.dat 4862458 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.M.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.M2.dat 5406207 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.M_cnt.dat 6 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.Nf.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.b_forces.dat 13437 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.b_struct.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.d2M.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.d2b.dat 13669 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.g.dat 14629 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.g_cnt.dat 14629 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_50/save.rescale.dat 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/ 18 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.FF.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.L.dat 4865765 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.M.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.M2.dat 5412074 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.M_cnt.dat 7 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.Nf.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.b_forces.dat 13429 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.b_struct.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.d2M.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.d2b.dat 13667 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.g.dat 14659 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.g_cnt.dat 14659 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_373K_75/save.rescale.dat 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/ 18 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.FF.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.L.dat 4858959 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.M.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.M2.dat 5343757 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.M_cnt.dat 7 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.Nf.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.b_forces.dat 13415 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.b_struct.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.d2M.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.d2b.dat 13670 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.g.dat 14456 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.g_cnt.dat 14456 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_25/save.rescale.dat 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/ 18 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.FF.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.L.dat 4871288 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.M.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.M2.dat 5409664 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.M_cnt.dat 7 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.Nf.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.b_forces.dat 13423 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.b_struct.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.d2M.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.d2b.dat 13671 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.g.dat 14644 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.g_cnt.dat 14644 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_50/save.rescale.dat 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/ 18 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.FF.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.L.dat 4876602 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.M.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.M2.dat 5414660 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.M_cnt.dat 7 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.Nf.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.b_forces.dat 13428 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.b_struct.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.d2M.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.d2b.dat 13668 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.g.dat 14659 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.g_cnt.dat 14659 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_398K_75/save.rescale.dat 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/ 18 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.FF.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.L.dat 4860155 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.M.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.M2.dat 5343880 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.M_cnt.dat 7 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.Nf.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.b_forces.dat 13415 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.b_struct.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.d2M.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.d2b.dat 13677 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.g.dat 14459 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.g_cnt.dat 14459 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_25/save.rescale.dat 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/ 18 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.FF.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.L.dat 4877415 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.M.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.M2.dat 5409882 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.M_cnt.dat 7 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.Nf.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.b_forces.dat 13412 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.b_struct.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.d2M.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.d2b.dat 13677 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.g.dat 14642 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.g_cnt.dat 14642 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_50/save.rescale.dat 0 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/ 18 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.FF.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.L.dat 4881650 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.M.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.M2.dat 5414535 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.M_cnt.dat 7 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.Nf.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.b_forces.dat 13417 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.b_struct.dat 4737150 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.d2M.dat 13050 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.d2b.dat 13673 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.g.dat 14662 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.g_cnt.dat 14662 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/save_423K_75/save.rescale.dat 6948 02-02-2015 07:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75/iter0/summarize_input.txt 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/ 0 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/ 212480 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/373K_25.tpr 247508 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/373K_50.tpr 282464 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/373K_75.tpr 212480 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/398K_25.tpr 247508 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/398K_50.tpr 282464 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/398K_75.tpr 212480 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/423K_25.tpr 247508 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/423K_50.tpr 282464 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/423K_75.tpr 14322 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/S.dat 14322 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/S_CONST.dat 2012 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/average_save_states.py 6660 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgff-PEO_373K-398K-423K_X_25-50-75.o3808528 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/ 0 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/ 6286 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/#mdrun.log.1# 262486 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/343K_100.1frame.gro 262485 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/343K_100.Emin.gro 2101 02-07-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/343K_100.Emin.mdp 15424 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/343K_100.edr 1391 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/343K_100.top 306228 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/343K_100.tpr 280100 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/343K_100.trr 104 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/cgPEO_343K_100_Emin.o3885460 3454 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/index.ndx 10399 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/mdout-343K_100.mdp 28396 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/mol_types_343K_100.itp 227 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/qsub_cgsim_Emin.sh 2102 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/run_gmx.sh 389098 02-07-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/table.xvg 58359 02-07-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/table_C_C.xvg 58618 02-07-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/table_C_Na.xvg 58325 02-07-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/table_C_S.xvg 58582 02-07-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/table_Na_Na.xvg 58441 02-07-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/table_S_Na.xvg 58417 02-07-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/table_S_S.xvg 10101 02-07-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Emin/table_b0.xvg 0 02-07-2015 13:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/ 7426 02-07-2015 13:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/#mdrun.log.1# 2086 02-07-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/343K_100.Equil.mdp 402453 02-07-2015 13:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/343K_100.confout.gro 49460 02-07-2015 13:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/343K_100.edr 1391 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/343K_100.top 306228 02-07-2015 12:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/343K_100.tpr 21423468 02-07-2015 13:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/343K_100.trr 375 02-07-2015 12:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/cgPEO_343K_100_Equil.o3885502 3540 02-07-2015 12:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/index.ndx 10383 02-07-2015 12:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/mdout-343K_100.mdp 34902 02-07-2015 13:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/mol_types_343K_100.itp 229 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/qsub_cgsim_Equil.sh 2112 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/run_gmx.sh 461928 02-07-2015 13:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/state.cpt 461928 02-07-2015 13:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/state_prev.cpt 389098 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/table.xvg 58359 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/table_C_C.xvg 58618 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/table_C_Na.xvg 58325 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/table_C_S.xvg 58582 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/table_Na_Na.xvg 58441 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/table_S_Na.xvg 58417 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/table_S_S.xvg 10101 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Equil/table_b0.xvg 0 02-08-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/ 7672 02-07-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/#mdrun.log.1# 402453 02-07-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/343K_100.confout.gro 4821260 02-07-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/343K_100.edr 2090 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/343K_100.mdp 1391 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/343K_100.top 306228 02-07-2015 14:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/343K_100.tpr 2100760068 02-07-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/343K_100.trr 1311 02-08-2015 11:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/bonds.xvg 1907 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/calc_dist.sh 375 02-07-2015 14:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/cgPEO_343K_100_Prodrun.o3885546 25761 02-08-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/cgPEO_calcdist.o3886220 94019 02-08-2015 11:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/distance.xvg 3617 02-07-2015 14:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/index.ndx 10379 02-07-2015 14:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/mdout-343K_100.mdp 1813070 02-07-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/mol_types_343K_100.itp 231 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/qsub_xv_calcdist.sh 31992 02-08-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/rdf_Na-Na.xvg 31990 02-08-2015 11:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/rdf_S-Na.xvg 31993 02-08-2015 11:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/rdf_S-S.xvg 2110 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/run_gmx.sh 461928 02-07-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/state.cpt 461928 02-07-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/state_prev.cpt 389098 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/table.xvg 58359 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/table_C_C.xvg 58618 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/table_C_S.xvg 58582 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/table_S_S.xvg 10101 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_100/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/ 0 02-07-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/ 5958 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/#mdrun.log.1# 164067 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/343K_25.1frame.gro 164070 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/343K_25.Emin.gro 2117 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/343K_25.Emin.mdp 17608 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/343K_25.edr 9785 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/343K_25.top 226728 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/343K_25.tpr 175124 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/343K_25.trr 38 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/cgPEO_343K_25_Emin.o3885450 41793 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/grompp.log 60831 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/index.ndx 10415 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/mdout-343K_25.mdp 27118 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/mol_types_343K_25.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/run_gmx.sh 389098 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/table.xvg 58359 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/table_C_C.xvg 58618 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/table_C_Na.xvg 58325 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/table_C_S.xvg 58582 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/table_Na_Na.xvg 58441 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/table_S_Na.xvg 58417 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/table_S_S.xvg 10101 02-07-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Emin/table_b0.xvg 0 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/ 7522 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/#mdrun.log.1# 2103 02-07-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/343K_25.Equil.mdp 251550 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/343K_25.confout.gro 56876 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/343K_25.edr 9785 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/343K_25.top 226728 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/343K_25.tpr 13392804 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/343K_25.trr 375 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/cgPEO_343K_25_Equil.o3885451 41910 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/grompp.log 60831 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/index.ndx 10399 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/mdout-343K_25.mdp 35761 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/mol_types_343K_25.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/run_gmx.sh 304608 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/state.cpt 389098 02-07-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/table.xvg 58359 02-07-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/table_C_C.xvg 58618 02-07-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/table_C_Na.xvg 58325 02-07-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/table_C_S.xvg 58582 02-07-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/table_Na_Na.xvg 58441 02-07-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/table_S_Na.xvg 58417 02-07-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/table_S_S.xvg 10101 02-07-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Equil/table_b0.xvg 0 02-08-2015 11:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/ 7520 02-07-2015 16:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/#mdrun.log.1# 251550 02-07-2015 16:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/343K_25.confout.gro 5541476 02-07-2015 16:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/343K_25.edr 2106 02-07-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/343K_25.mdp 9785 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/343K_25.top 226728 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/343K_25.tpr --------- ------- 4290461318 380 files ===================================================== Content of ZIP archive 09.23.14-045.zip ===================================================== Archive: 09.23.14-045.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 02-07-2015 16:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/343K_25.trr 1330 02-08-2015 11:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/bonds.xvg 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/calc_dist.sh 375 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/cgPEO_343K_25_Prodrun.o3885524 46409 02-08-2015 11:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/cgPEO_calcdist.o3886214 94019 02-08-2015 11:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/distance.xvg 41865 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/grompp.log 60831 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/index.ndx 10395 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/mdout-343K_25.mdp 1813435 02-07-2015 16:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/mol_types_343K_25.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/qsub_xv_calcdist.sh 31575 02-08-2015 11:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/rdf_C-C.xvg 31574 02-08-2015 11:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/rdf_C-Na.xvg 31571 02-08-2015 11:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/rdf_C-S.xvg 31571 02-08-2015 11:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/rdf_Na-Na.xvg 31570 02-08-2015 11:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/rdf_S-Na.xvg 31573 02-08-2015 11:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/run_gmx.sh 304608 02-07-2015 16:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/state.cpt 304608 02-07-2015 16:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/state_prev.cpt 389098 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/table.xvg 58359 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/table_C_C.xvg 58618 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/table_C_Na.xvg 58325 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/table_C_S.xvg 58582 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/table_Na_Na.xvg 58441 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/table_S_Na.xvg 58417 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/table_S_S.xvg 10101 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_25/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/ 0 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/ 6311 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/#mdrun.log.1# 181081 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/343K_38.1frame.gro 181080 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/343K_38.Emin.gro 2117 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/343K_38.Emin.mdp 24340 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/343K_38.edr 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/343K_38.top 246508 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/343K_38.tpr 193268 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/343K_38.trr 104 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/cgPEO_343K_38_Emin.o3885452 41756 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/index.ndx 10415 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/mdout-343K_38.mdp 33934 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/mol_types_343K_38.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/run_gmx.sh 389098 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/table.xvg 58359 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/table_C_C.xvg 58618 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/table_C_Na.xvg 58325 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/table_C_S.xvg 58582 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/table_Na_Na.xvg 58441 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/table_S_Na.xvg 58417 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/table_S_S.xvg 10101 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Emin/table_b0.xvg 0 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/ 7516 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/#mdrun.log.1# 2103 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/343K_38.Equil.mdp 277632 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/343K_38.confout.gro 56876 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/343K_38.edr 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/343K_38.top 246508 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/343K_38.tpr 14780820 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/343K_38.trr 375 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/cgPEO_343K_38_Equil.o3885453 41868 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/index.ndx 10399 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/mdout-343K_38.mdp 35825 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/mol_types_343K_38.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/run_gmx.sh 331824 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/state.cpt 331824 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/state_prev.cpt 389098 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/table.xvg 58359 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/table_C_C.xvg 58618 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/table_C_Na.xvg 58325 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/table_C_S.xvg 58582 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/table_Na_Na.xvg 58441 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/table_S_Na.xvg 58417 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/table_S_S.xvg 10101 02-07-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Equil/table_b0.xvg 0 02-08-2015 11:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/ 7526 02-07-2015 16:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/#mdrun.log.1# 277632 02-07-2015 16:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/343K_38.confout.gro 5541476 02-07-2015 16:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/343K_38.edr 2106 02-07-2015 11:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/343K_38.mdp 9789 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/343K_38.top 246508 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/343K_38.tpr 1449389820 02-07-2015 16:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/343K_38.trr 1330 02-08-2015 11:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/bonds.xvg 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/calc_dist.sh 375 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/cgPEO_343K_38_Prodrun.o3885525 46417 02-08-2015 11:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/cgPEO_calcdist.o3886215 94019 02-08-2015 11:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/distance.xvg 41875 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/grompp.log 64662 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/index.ndx 10395 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/mdout-343K_38.mdp 1813504 02-07-2015 16:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/mdrun.log 10601 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/mol_types_343K_38.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/qsub_xv_calcdist.sh 31638 02-08-2015 11:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/rdf_C-C.xvg 31639 02-08-2015 11:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/rdf_C-Na.xvg 31639 02-08-2015 11:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/rdf_C-S.xvg 31638 02-08-2015 11:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/rdf_Na-Na.xvg 31637 02-08-2015 11:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/rdf_S-Na.xvg 31638 02-08-2015 11:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/run_gmx.sh 331824 02-07-2015 16:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/state.cpt 331824 02-07-2015 16:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/state_prev.cpt 389098 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/table.xvg 58359 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/table_C_C.xvg 58618 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/table_C_Na.xvg 58325 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/table_C_S.xvg 58582 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/table_Na_Na.xvg 58441 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/table_S_Na.xvg 58417 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/table_S_S.xvg 10101 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_38/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/ 0 02-07-2015 12:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/ 5980 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/#mdrun.log.1# 196872 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/343K_50.1frame.gro 196875 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/343K_50.Emin.gro 2116 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/343K_50.Emin.mdp 16816 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/343K_50.edr 9793 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/343K_50.top 264676 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/343K_50.tpr 210116 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/343K_50.trr 38 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/cgPEO_343K_50_Emin.o3885454 41794 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/grompp.log 68220 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/index.ndx 10414 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/mdout-343K_50.mdp 26500 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/mol_types_343K_50.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/run_gmx.sh 389098 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/table.xvg 58359 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/table_C_C.xvg 58618 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/table_C_Na.xvg 58325 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/table_C_S.xvg 58582 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/table_Na_Na.xvg 58441 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/table_S_Na.xvg 58417 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/table_S_S.xvg 10101 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Emin/table_b0.xvg 0 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/ 7405 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/#mdrun.log.1# 2102 02-07-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/343K_50.Equil.mdp 301851 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/343K_50.confout.gro 56876 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/343K_50.edr 9793 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/343K_50.top 264676 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/343K_50.tpr 16069692 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/343K_50.trr 375 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/cgPEO_343K_50_Equil.o3885455 41865 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/grompp.log 68220 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/index.ndx 10398 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/mdout-343K_50.mdp 35707 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/mol_types_343K_50.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/run_gmx.sh 357096 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/state.cpt 357096 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/state_prev.cpt 389098 02-07-2015 12:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/table.xvg 58359 02-07-2015 12:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/table_C_C.xvg 58618 02-07-2015 12:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/table_C_Na.xvg 58325 02-07-2015 12:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/table_C_S.xvg 58582 02-07-2015 12:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/table_Na_Na.xvg 58441 02-07-2015 12:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/table_S_Na.xvg 58417 02-07-2015 12:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/table_S_S.xvg 10101 02-07-2015 12:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Equil/table_b0.xvg 0 02-08-2015 11:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/ 7429 02-07-2015 17:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/#mdrun.log.1# 301851 02-07-2015 17:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/343K_50.confout.gro 5541476 02-07-2015 17:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/343K_50.edr 2105 02-07-2015 12:01 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/343K_50.mdp 9793 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/343K_50.top 264676 02-07-2015 14:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/343K_50.tpr 1575775092 02-07-2015 17:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/343K_50.trr 1330 02-08-2015 11:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/calc_dist.sh 375 02-07-2015 14:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/cgPEO_343K_50_Prodrun.o3885526 46443 02-08-2015 11:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/cgPEO_calcdist.o3886216 94019 02-08-2015 11:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/distance.xvg 41882 02-07-2015 14:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/grompp.log 68220 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/index.ndx 10394 02-07-2015 14:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/mdout-343K_50.mdp 1813387 02-07-2015 17:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/mol_types_343K_50.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/qsub_xv_calcdist.sh 31727 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/rdf_C-C.xvg 31727 02-08-2015 11:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/rdf_C-Na.xvg 31726 02-08-2015 11:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/rdf_C-S.xvg 31727 02-08-2015 11:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/rdf_Na-Na.xvg 31724 02-08-2015 11:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/rdf_S-Na.xvg 31727 02-08-2015 11:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/run_gmx.sh 357096 02-07-2015 17:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/state.cpt 357096 02-07-2015 17:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/state_prev.cpt 389098 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/table.xvg 58359 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/table_C_C.xvg 58618 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/table_C_Na.xvg 58325 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/table_C_S.xvg 58582 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/table_Na_Na.xvg 58441 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/table_S_Na.xvg 58417 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/table_S_S.xvg 10101 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_50/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/ 0 02-07-2015 12:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/ 5969 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/#mdrun.log.1# 213886 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/343K_63.1frame.gro 213885 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/343K_63.Emin.gro 2116 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/343K_63.Emin.mdp 11272 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/343K_63.edr 9796 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/343K_63.top 284452 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/343K_63.tpr 228260 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/343K_63.trr 38 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/cgPEO_343K_63_Emin.o3885456 41800 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/grompp.log 72050 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/index.ndx 10414 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/mdout-343K_63.mdp 22381 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/mdrun.log 10602 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/mol_types_343K_63.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/run_gmx.sh 389098 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/table.xvg 58359 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/table_C_C.xvg 58618 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/table_C_Na.xvg 58325 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/table_C_S.xvg 58582 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/table_Na_Na.xvg 58441 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/table_S_Na.xvg 58417 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/table_S_S.xvg 10101 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Emin/table_b0.xvg 0 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/ 7430 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/#mdrun.log.1# 2102 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/343K_63.Equil.mdp 327933 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/343K_63.confout.gro 56876 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/343K_63.edr 9796 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/343K_63.top 284452 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/343K_63.tpr 17457708 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/343K_63.trr 375 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/cgPEO_343K_63_Equil.o3885457 41899 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/grompp.log 72050 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/index.ndx 10398 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/mdout-343K_63.mdp 35695 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/mdrun.log 10602 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/mol_types_343K_63.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/run_gmx.sh 384312 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/state.cpt 384312 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/state_prev.cpt 389098 02-07-2015 12:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/table.xvg 58359 02-07-2015 12:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/table_C_C.xvg 58618 02-07-2015 12:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/table_C_Na.xvg 58325 02-07-2015 12:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/table_C_S.xvg 58582 02-07-2015 12:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/table_Na_Na.xvg 58441 02-07-2015 12:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/table_S_Na.xvg 58417 02-07-2015 12:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/table_S_S.xvg 10101 02-07-2015 12:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Equil/table_b0.xvg 0 02-08-2015 11:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/ 7543 02-07-2015 18:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/#mdrun.log.1# 327933 02-07-2015 18:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/343K_63.confout.gro 5541476 02-07-2015 18:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/343K_63.edr 2105 02-07-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/343K_63.mdp 9796 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/343K_63.top 284452 02-07-2015 14:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/343K_63.tpr --------- ------- 4428497806 267 files ===================================================== Content of ZIP archive 09.23.14-046.zip ===================================================== Archive: 09.23.14-046.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 02-07-2015 18:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/343K_63.trr 1330 02-08-2015 11:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/calc_dist.sh 375 02-07-2015 14:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/cgPEO_343K_63_Prodrun.o3885527 46361 02-08-2015 11:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/cgPEO_calcdist.o3886217 94019 02-08-2015 11:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/distance.xvg 41893 02-07-2015 14:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/grompp.log 72050 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/index.ndx 10394 02-07-2015 14:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/mdout-343K_63.mdp 1813694 02-07-2015 18:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/mdrun.log 10602 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/mol_types_343K_63.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/qsub_xv_calcdist.sh 31835 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/rdf_C-C.xvg 31837 02-08-2015 11:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/rdf_C-Na.xvg 31836 02-08-2015 11:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/rdf_C-S.xvg 31835 02-08-2015 11:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/rdf_Na-Na.xvg 31837 02-08-2015 11:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/rdf_S-Na.xvg 31838 02-08-2015 11:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/run_gmx.sh 384312 02-07-2015 18:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/state.cpt 384312 02-07-2015 18:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/state_prev.cpt 389098 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/table.xvg 58359 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/table_C_C.xvg 58618 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/table_C_Na.xvg 58325 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/table_C_S.xvg 58582 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/table_Na_Na.xvg 58441 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/table_S_Na.xvg 58417 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/table_S_S.xvg 10101 02-07-2015 12:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_63/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/ 0 02-07-2015 12:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/ 6284 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/#mdrun.log.1# 229682 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/343K_75.1frame.gro 229680 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/343K_75.Emin.gro 2116 02-07-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/343K_75.Emin.mdp 14440 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/343K_75.edr 9789 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/343K_75.top 302548 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/343K_75.tpr 245108 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/343K_75.trr 104 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/cgPEO_343K_75_Emin.o3885458 41767 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/grompp.log 75606 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/index.ndx 10414 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/mdout-343K_75.mdp 26673 02-07-2015 12:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/mdrun.log 10603 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/mol_types_343K_75.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/run_gmx.sh 389098 02-07-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/table.xvg 58359 02-07-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/table_C_C.xvg 58618 02-07-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/table_C_Na.xvg 58325 02-07-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/table_C_S.xvg 58582 02-07-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/table_Na_Na.xvg 58441 02-07-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/table_S_Na.xvg 58417 02-07-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/table_S_S.xvg 10101 02-07-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Emin/table_b0.xvg 0 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/ 7532 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/#mdrun.log.1# 2102 02-07-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/343K_75.Equil.mdp 352152 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/343K_75.confout.gro 56876 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/343K_75.edr 9789 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/343K_75.top 302548 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/343K_75.tpr 18746580 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/343K_75.trr 375 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/cgPEO_343K_75_Equil.o3885500 41887 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/grompp.log 75606 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/index.ndx 10398 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/mdout-343K_75.mdp 35826 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/mdrun.log 10603 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/mol_types_343K_75.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/run_gmx.sh 409584 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/state.cpt 409584 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/state_prev.cpt 389098 02-07-2015 12:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/table.xvg 58359 02-07-2015 12:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/table_C_C.xvg 58618 02-07-2015 12:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/table_C_Na.xvg 58325 02-07-2015 12:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/table_C_S.xvg 58582 02-07-2015 12:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/table_Na_Na.xvg 58441 02-07-2015 12:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/table_S_Na.xvg 58417 02-07-2015 12:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/table_S_S.xvg 10101 02-07-2015 12:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Equil/table_b0.xvg 0 02-08-2015 11:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/ 7523 02-07-2015 18:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/#mdrun.log.1# 352152 02-07-2015 18:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/343K_75.confout.gro 5541476 02-07-2015 18:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/343K_75.edr 2105 02-07-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/343K_75.mdp 9789 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/343K_75.top 302548 02-07-2015 14:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/343K_75.tpr 1838267580 02-07-2015 18:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/343K_75.trr 1330 02-08-2015 11:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/calc_dist.sh 375 02-07-2015 14:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/cgPEO_343K_75_Prodrun.o3885532 46415 02-08-2015 11:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/cgPEO_calcdist.o3886218 94019 02-08-2015 11:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/distance.xvg 41897 02-07-2015 14:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/grompp.log 75606 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/index.ndx 10394 02-07-2015 14:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/mdout-343K_75.mdp 1813750 02-07-2015 18:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/mdrun.log 10603 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/mol_types_343K_75.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/qsub_xv_calcdist.sh 31835 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/rdf_C-C.xvg 31835 02-08-2015 11:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/rdf_C-Na.xvg 31836 02-08-2015 11:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/rdf_C-S.xvg 31836 02-08-2015 11:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/rdf_Na-Na.xvg 31837 02-08-2015 11:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/rdf_S-Na.xvg 31838 02-08-2015 11:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/run_gmx.sh 409584 02-07-2015 18:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/state.cpt 409584 02-07-2015 18:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/state_prev.cpt 389098 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/table.xvg 58359 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/table_C_C.xvg 58618 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/table_C_S.xvg 58582 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/table_S_S.xvg 10101 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_75/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/ 0 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/ 6258 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/#mdrun.log.1# 240616 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/343K_83.1frame.gro 240615 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/343K_83.Emin.gro 2116 02-07-2015 12:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/343K_83.Emin.mdp 18796 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/343K_83.edr 9788 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/343K_83.top 315028 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/343K_83.tpr 256772 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/343K_83.trr 104 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/cgPEO_343K_83_Emin.o3885459 41794 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/index.ndx 10414 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/mdout-343K_83.mdp 29807 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/mol_types_343K_83.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/run_gmx.sh 389098 02-07-2015 12:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/table.xvg 58359 02-07-2015 12:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/table_C_C.xvg 58618 02-07-2015 12:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/table_C_Na.xvg 58325 02-07-2015 12:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/table_C_S.xvg 58582 02-07-2015 12:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/table_Na_Na.xvg 58441 02-07-2015 12:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/table_S_Na.xvg 58417 02-07-2015 12:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/table_S_S.xvg 10101 02-07-2015 12:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Emin/table_b0.xvg 0 02-07-2015 13:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/ 7432 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/#mdrun.log.1# 2102 02-07-2015 12:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/343K_83.Equil.mdp 368919 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/343K_83.confout.gro 56876 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/343K_83.edr 9788 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/343K_83.top 315028 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/343K_83.tpr 19638876 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/343K_83.trr 375 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/cgPEO_343K_83_Equil.o3885501 41889 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/index.ndx 10398 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/mdout-343K_83.mdp 35704 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/mol_types_343K_83.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/run_gmx.sh 427080 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/state.cpt 427080 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/state_prev.cpt 389098 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/table.xvg 58359 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/table_C_C.xvg 58618 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/table_C_Na.xvg 58325 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/table_C_S.xvg 58582 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/table_Na_Na.xvg 58441 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/table_S_Na.xvg 58417 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/table_S_S.xvg 10101 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Equil/table_b0.xvg 0 02-08-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/ 7559 02-07-2015 18:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/#mdrun.log.1# 368919 02-07-2015 18:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/343K_83.confout.gro 5541476 02-07-2015 18:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/343K_83.edr 2105 02-07-2015 12:06 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/343K_83.mdp 9788 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/343K_83.top 315028 02-07-2015 14:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/343K_83.tpr --------- ------- 3617650439 178 files ===================================================== Content of ZIP archive 09.23.14-047.zip ===================================================== Archive: 09.23.14-047.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 02-07-2015 18:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/343K_83.trr 1330 02-08-2015 11:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/calc_dist.sh 375 02-07-2015 14:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/cgPEO_343K_83_Prodrun.o3885545 46552 02-08-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/cgPEO_calcdist.o3886219 94019 02-08-2015 11:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/distance.xvg 41871 02-07-2015 14:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/index.ndx 10394 02-07-2015 14:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/mdout-343K_83.mdp 1813758 02-07-2015 18:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/mol_types_343K_83.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/qsub_xv_calcdist.sh 31900 02-08-2015 11:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/rdf_C-C.xvg 31901 02-08-2015 11:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/rdf_C-Na.xvg 31903 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/rdf_C-S.xvg 31902 02-08-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/rdf_Na-Na.xvg 31903 02-08-2015 11:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/rdf_S-Na.xvg 31904 02-08-2015 11:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/run_gmx.sh 427080 02-07-2015 18:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/state.cpt 427080 02-07-2015 18:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/state_prev.cpt 389098 02-07-2015 13:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/table.xvg 58359 02-07-2015 13:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/table_C_C.xvg 58618 02-07-2015 13:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/table_C_S.xvg 58582 02-07-2015 13:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/table_S_S.xvg 10101 02-07-2015 13:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_343K_83/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/ 0 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/ 5961 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/#mdrun.log.1# 262482 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/373K_100.1frame.gro 262485 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/373K_100.Emin.gro 2101 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/373K_100.Emin.mdp 9160 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/373K_100.edr 1393 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/373K_100.top 306228 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/373K_100.tpr 280100 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/373K_100.trr 38 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/cgPEO_373K_100_Emin.o3885468 3445 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/index.ndx 10400 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/mdout-373K_100.mdp 21273 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/mol_types_373K_100.itp 227 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/qsub_cgsim_Emin.sh 2098 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/run_gmx.sh 389098 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/table.xvg 58359 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/table_C_C.xvg 58618 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/table_C_Na.xvg 58325 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/table_C_S.xvg 58582 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/table_Na_Na.xvg 58441 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/table_S_Na.xvg 58417 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/table_S_S.xvg 10101 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Emin/table_b0.xvg 0 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/ 7522 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/#mdrun.log.1# 2088 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/373K_100.Equil.mdp 402453 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/373K_100.confout.gro 49460 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/373K_100.edr 1393 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/373K_100.top 306228 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/373K_100.tpr 21423468 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/373K_100.trr 375 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/cgPEO_373K_100_Equil.o3885509 3528 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/index.ndx 10384 02-07-2015 13:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/mdout-373K_100.mdp 35016 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/mol_types_373K_100.itp 229 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/qsub_cgsim_Equil.sh 2112 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/run_gmx.sh 461928 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/state.cpt 461928 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/state_prev.cpt 389098 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/table.xvg 58359 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/table_C_C.xvg 58618 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/table_C_Na.xvg 58325 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/table_C_S.xvg 58582 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/table_Na_Na.xvg 58441 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/table_S_Na.xvg 58417 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/table_S_S.xvg 10101 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Equil/table_b0.xvg 0 02-08-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/ 7602 02-07-2015 23:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/#mdrun.log.1# 402453 02-07-2015 23:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/373K_100.confout.gro 4821260 02-07-2015 23:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/373K_100.edr 2090 02-07-2015 12:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/373K_100.mdp 1393 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/373K_100.top 306228 02-07-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/373K_100.tpr 2100760068 02-07-2015 23:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/373K_100.trr 1311 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/bonds.xvg 1907 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/calc_dist.sh 375 02-07-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/cgPEO_373K_100_Prodrun.o3885569 25771 02-08-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/cgPEO_calcdist.o3886227 94019 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/distance.xvg 3561 02-07-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/index.ndx 10380 02-07-2015 19:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/mdout-373K_100.mdp 1812997 02-07-2015 23:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/mol_types_373K_100.itp 231 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/qsub_xv_calcdist.sh 32146 02-08-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/rdf_Na-Na.xvg 32145 02-08-2015 11:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/rdf_S-Na.xvg 32145 02-08-2015 11:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/rdf_S-S.xvg 2110 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/run_gmx.sh 461928 02-07-2015 23:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/state.cpt 461928 02-07-2015 23:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/state_prev.cpt 389098 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/table.xvg 58359 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/table_C_C.xvg 58618 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/table_C_S.xvg 58582 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/table_S_S.xvg 10101 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_100/Prod_run/table_b0.xvg 0 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/ 0 02-07-2015 12:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/ 6286 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/#mdrun.log.1# 164071 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/373K_25.1frame.gro 164070 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/373K_25.Emin.gro 2115 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/373K_25.Emin.mdp 18796 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/373K_25.edr 9785 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/373K_25.top 226728 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/373K_25.tpr 175124 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/373K_25.trr 104 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/cgPEO_373K_25_Emin.o3885461 41817 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/grompp.log 60831 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/index.ndx 10413 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/mdout-373K_25.mdp 29823 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/mol_types_373K_25.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/run_gmx.sh 389098 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/table.xvg 58359 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/table_C_C.xvg 58618 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/table_C_Na.xvg 58325 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/table_C_S.xvg 58582 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/table_Na_Na.xvg 58441 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/table_S_Na.xvg 58417 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/table_S_S.xvg 10101 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Emin/table_b0.xvg 0 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/ 7439 02-07-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/#mdrun.log.1# 2101 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/373K_25.Equil.mdp 251550 02-07-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/373K_25.confout.gro 56876 02-07-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/373K_25.edr 9785 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/373K_25.top 226728 02-07-2015 12:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/373K_25.tpr 13392804 02-07-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/373K_25.trr 375 02-07-2015 12:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/cgPEO_373K_25_Equil.o3885503 41879 02-07-2015 12:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/grompp.log 60831 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/index.ndx 10396 02-07-2015 12:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/mdout-373K_25.mdp 35653 02-07-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/mol_types_373K_25.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/run_gmx.sh 304608 02-07-2015 13:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/state.cpt 389098 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/table.xvg 58359 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/table_C_C.xvg 58618 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/table_C_Na.xvg 58325 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/table_C_S.xvg 58582 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/table_Na_Na.xvg 58441 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/table_S_Na.xvg 58417 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/table_S_S.xvg 10101 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Equil/table_b0.xvg 0 02-08-2015 11:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/ 7532 02-07-2015 18:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/#mdrun.log.1# 251550 02-07-2015 18:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/373K_25.confout.gro 5541476 02-07-2015 18:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/373K_25.edr 2104 02-07-2015 12:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/373K_25.mdp 9785 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/373K_25.top 226728 02-07-2015 15:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/373K_25.tpr --------- ------- 4088648129 174 files ===================================================== Content of ZIP archive 09.23.14-048.zip ===================================================== Archive: 09.23.14-048.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 02-07-2015 18:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/373K_25.trr 1330 02-08-2015 11:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/bonds.xvg 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/calc_dist.sh 375 02-07-2015 15:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/cgPEO_373K_25_Prodrun.o3885547 46352 02-08-2015 11:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/cgPEO_calcdist.o3886221 94019 02-08-2015 11:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/distance.xvg 41868 02-07-2015 15:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/grompp.log 60831 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/index.ndx 10392 02-07-2015 15:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/mdout-373K_25.mdp 1813382 02-07-2015 18:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/mdrun.log 10604 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/mol_types_373K_25.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/qsub_xv_calcdist.sh 31727 02-08-2015 11:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/rdf_C-C.xvg 31726 02-08-2015 11:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/rdf_C-Na.xvg 31727 02-08-2015 11:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/rdf_C-S.xvg 31725 02-08-2015 11:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/rdf_Na-Na.xvg 31725 02-08-2015 11:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/rdf_S-Na.xvg 31726 02-08-2015 11:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/run_gmx.sh 304608 02-07-2015 18:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/state.cpt 304608 02-07-2015 18:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/state_prev.cpt 389098 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/table.xvg 58359 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/table_C_C.xvg 58618 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/table_C_S.xvg 58582 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/table_S_S.xvg 10101 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_25/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/ 0 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/ 6309 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/#mdrun.log.1# 181081 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/373K_38.1frame.gro 181080 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/373K_38.Emin.gro 2116 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/373K_38.Emin.mdp 38200 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/373K_38.edr 9788 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/373K_38.top 246508 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/373K_38.tpr 193268 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/373K_38.trr 104 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/cgPEO_373K_38_Emin.o3885462 41765 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/grompp.log 64662 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/index.ndx 10414 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/mdout-373K_38.mdp 44111 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/mdrun.log 10601 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/mol_types_373K_38.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/run_gmx.sh 389098 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/table.xvg 58359 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/table_C_C.xvg 58618 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/table_C_Na.xvg 58325 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/table_C_S.xvg 58582 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/table_Na_Na.xvg 58441 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/table_S_Na.xvg 58417 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/table_S_S.xvg 10101 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Emin/table_b0.xvg 0 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/ 7556 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/#mdrun.log.1# 2102 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/373K_38.Equil.mdp 277632 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/373K_38.confout.gro 56876 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/373K_38.edr 9788 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/373K_38.top 246508 02-07-2015 12:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/373K_38.tpr 14780820 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/373K_38.trr 375 02-07-2015 12:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/cgPEO_373K_38_Equil.o3885504 41884 02-07-2015 12:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/grompp.log 64662 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/index.ndx 10398 02-07-2015 12:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/mdout-373K_38.mdp 35761 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/mdrun.log 10601 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/mol_types_373K_38.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/run_gmx.sh 331824 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/state.cpt 389098 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/table.xvg 58359 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/table_C_C.xvg 58618 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/table_C_Na.xvg 58325 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/table_C_S.xvg 58582 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/table_Na_Na.xvg 58441 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/table_S_Na.xvg 58417 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/table_S_S.xvg 10101 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Equil/table_b0.xvg 0 02-08-2015 11:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/ 7540 02-07-2015 19:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/#mdrun.log.1# 277632 02-07-2015 19:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/373K_38.confout.gro 5541476 02-07-2015 19:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/373K_38.edr 2105 02-07-2015 12:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/373K_38.mdp 9788 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/373K_38.top 246508 02-07-2015 16:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/373K_38.tpr 1449389820 02-07-2015 19:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/373K_38.trr 1330 02-08-2015 11:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/calc_dist.sh 375 02-07-2015 16:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/cgPEO_373K_38_Prodrun.o3885548 46395 02-08-2015 11:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/cgPEO_calcdist.o3886222 94019 02-08-2015 11:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/distance.xvg 41859 02-07-2015 16:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/grompp.log 64662 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/index.ndx 10394 02-07-2015 16:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/mdout-373K_38.mdp 1813499 02-07-2015 19:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/mdrun.log 10601 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/mol_types_373K_38.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/qsub_xv_calcdist.sh 31836 02-08-2015 11:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/rdf_C-C.xvg 31839 02-08-2015 11:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/rdf_C-Na.xvg 31837 02-08-2015 11:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/rdf_C-S.xvg 31837 02-08-2015 11:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/rdf_Na-Na.xvg 31835 02-08-2015 11:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/rdf_S-Na.xvg 31838 02-08-2015 11:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/run_gmx.sh 331824 02-07-2015 19:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/state.cpt 331824 02-07-2015 19:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/state_prev.cpt 389098 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/table.xvg 58359 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/table_C_C.xvg 58618 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/table_C_S.xvg 58582 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/table_S_S.xvg 10101 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_38/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/ 0 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/ 5986 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/#mdrun.log.1# 196876 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/373K_50.1frame.gro 196875 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/373K_50.Emin.gro 2116 02-07-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/373K_50.Emin.mdp 16024 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/373K_50.edr 9787 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/373K_50.top 264672 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/373K_50.tpr 210116 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/373K_50.trr 38 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/cgPEO_373K_50_Emin.o3885463 41765 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/grompp.log 68221 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/index.ndx 248 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/make_bond_index.py 10413 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/mdout-373K_50.mdp 25864 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/mol_types_373K_50.itp 231 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/qsub_cgsim_Emin.sh 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/qsub_xv.sh 2097 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/run_gmx.sh 389098 02-07-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/table.xvg 58359 02-07-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/table_C_C.xvg 58618 02-07-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/table_C_Na.xvg 58325 02-07-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/table_C_S.xvg 58582 02-07-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/table_Na_Na.xvg 58441 02-07-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/table_S_Na.xvg 58417 02-07-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/table_S_S.xvg 10101 02-07-2015 12:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Emin/table_b0.xvg 0 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/ 7418 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/#mdrun.log.1# 2104 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/373K_50.Equil.mdp 301851 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/373K_50.confout.gro 56876 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/373K_50.edr 9787 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/373K_50.top 264672 02-07-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/373K_50.tpr 16069692 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/373K_50.trr 375 02-07-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/cgPEO_373K_50_Equil.o3885505 41881 02-07-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/grompp.log 68221 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/index.ndx 10397 02-07-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/mdout-373K_50.mdp 35709 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/mol_types_373K_50.itp 232 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/qsub_cgsim_Equil.sh 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/qsub_xv.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/run_gmx.sh 357096 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/state.cpt 357096 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/state_prev.cpt 389098 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/table.xvg 58359 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/table_C_C.xvg 58618 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/table_C_Na.xvg 58325 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/table_C_S.xvg 58582 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/table_Na_Na.xvg 58441 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/table_S_Na.xvg 58417 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/table_S_S.xvg 10101 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Equil/table_b0.xvg 0 02-08-2015 11:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/ 7537 02-07-2015 21:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/#mdrun.log.1# 301851 02-07-2015 21:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/373K_50.confout.gro 5541476 02-07-2015 21:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/373K_50.edr 2103 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/373K_50.mdp 9787 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/373K_50.top 264672 02-07-2015 18:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/373K_50.tpr 1575775092 02-07-2015 21:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/373K_50.trr 1330 02-08-2015 11:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/bonds.xvg 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/calc_dist.sh 375 02-07-2015 18:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/cgPEO_373K_50_Prodrun.o3885551 46405 02-08-2015 11:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/cgPEO_calcdist.o3886223 94019 02-08-2015 11:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/distance.xvg 41869 02-07-2015 18:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/grompp.log 68221 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/index.ndx 10393 02-07-2015 18:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/mdout-373K_50.mdp 1813503 02-07-2015 21:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/mdrun.log 10602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/mol_types_373K_50.itp 234 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/qsub_cgsim_NVT.sh 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/qsub_xv.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/qsub_xv_calcdist.sh 31924 02-08-2015 11:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/rdf_C-C.xvg 31924 02-08-2015 11:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/rdf_C-Na.xvg 31926 02-08-2015 11:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/rdf_C-S.xvg 31925 02-08-2015 11:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/rdf_Na-Na.xvg 31925 02-08-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/rdf_S-Na.xvg 31925 02-08-2015 11:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/run_gmx.sh 357096 02-07-2015 21:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/state.cpt 357096 02-07-2015 21:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/state_prev.cpt 389098 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/table.xvg 58359 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/table_C_C.xvg 58618 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/table_C_S.xvg 58582 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/table_S_S.xvg 10101 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_50/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/ 0 02-07-2015 12:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/ 5952 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/#mdrun.log.1# 213886 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/373K_63.1frame.gro 213885 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/373K_63.Emin.gro 2116 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/373K_63.Emin.mdp 16420 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/373K_63.edr 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/373K_63.top 284452 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/373K_63.tpr 228260 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/373K_63.trr 38 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/cgPEO_373K_63_Emin.o3885464 41781 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/grompp.log 72050 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/index.ndx 10414 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/mdout-373K_63.mdp 26221 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/mdrun.log 10602 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/mol_types_373K_63.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/run_gmx.sh 389098 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/table.xvg 58359 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/table_C_C.xvg 58618 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/table_C_Na.xvg 58325 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/table_C_S.xvg 58582 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/table_Na_Na.xvg 58441 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/table_S_Na.xvg 58417 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/table_S_S.xvg 10101 02-07-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Emin/table_b0.xvg 0 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/ 7530 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/#mdrun.log.1# 2102 02-07-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/373K_63.Equil.mdp 327933 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/373K_63.confout.gro 56876 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/373K_63.edr 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/373K_63.top 284452 02-07-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/373K_63.tpr 17457708 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/373K_63.trr 375 02-07-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/cgPEO_373K_63_Equil.o3885506 41870 02-07-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/grompp.log 72050 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/index.ndx 10398 02-07-2015 13:05 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/mdout-373K_63.mdp 35830 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/mdrun.log 10602 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/mol_types_373K_63.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/run_gmx.sh 384312 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/state.cpt 384312 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/state_prev.cpt 389098 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/table.xvg 58359 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/table_C_C.xvg 58618 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/table_C_Na.xvg 58325 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/table_C_S.xvg 58582 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/table_Na_Na.xvg 58441 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/table_S_Na.xvg 58417 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/table_S_S.xvg 10101 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Equil/table_b0.xvg 0 02-08-2015 11:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/ 7421 02-07-2015 21:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/#mdrun.log.1# 327933 02-07-2015 21:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/373K_63.confout.gro 5541476 02-07-2015 21:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/373K_63.edr 2105 02-07-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/373K_63.mdp 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/373K_63.top 284452 02-07-2015 18:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/373K_63.tpr --------- ------- 4428201866 270 files ===================================================== Content of ZIP archive 09.23.14-049.zip ===================================================== Archive: 09.23.14-049.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 02-07-2015 21:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/373K_63.trr 1330 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/calc_dist.sh 375 02-07-2015 18:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/cgPEO_373K_63_Prodrun.o3885553 46392 02-08-2015 11:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/cgPEO_calcdist.o3886224 94019 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/distance.xvg 41856 02-07-2015 18:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/grompp.log 72050 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/index.ndx 10394 02-07-2015 18:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/mdout-373K_63.mdp 1813452 02-07-2015 21:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/mdrun.log 10602 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/mol_types_373K_63.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/qsub_xv_calcdist.sh 31989 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/rdf_C-C.xvg 31991 02-08-2015 11:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/rdf_C-Na.xvg 31990 02-08-2015 11:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/rdf_C-S.xvg 31991 02-08-2015 11:50 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/rdf_Na-Na.xvg 31989 02-08-2015 11:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/rdf_S-Na.xvg 31991 02-08-2015 11:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/run_gmx.sh 384312 02-07-2015 21:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/state.cpt 384312 02-07-2015 21:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/state_prev.cpt 389098 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/table.xvg 58359 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/table_C_C.xvg 58618 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/table_C_S.xvg 58582 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/table_S_S.xvg 10101 02-07-2015 13:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_63/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/ 0 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/ 6281 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/#mdrun.log.1# 229682 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/373K_75.1frame.gro 229680 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/373K_75.Emin.gro 2116 02-07-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/373K_75.Emin.mdp 13252 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/373K_75.edr 9786 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/373K_75.top 302548 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/373K_75.tpr 245108 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/373K_75.trr 104 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/cgPEO_373K_75_Emin.o3885465 41766 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/index.ndx 10413 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/mdout-373K_75.mdp 25808 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/mol_types_373K_75.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/run_gmx.sh 389098 02-07-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/table.xvg 58359 02-07-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/table_C_C.xvg 58618 02-07-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/table_C_Na.xvg 58325 02-07-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/table_C_S.xvg 58582 02-07-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/table_Na_Na.xvg 58441 02-07-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/table_S_Na.xvg 58417 02-07-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/table_S_S.xvg 10101 02-07-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Emin/table_b0.xvg 0 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/ 7424 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/#mdrun.log.1# 2102 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/373K_75.Equil.mdp 352152 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/373K_75.confout.gro 56876 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/373K_75.edr 9786 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/373K_75.top 302548 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/373K_75.tpr 18746580 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/373K_75.trr 375 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/cgPEO_373K_75_Equil.o3885507 41874 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/index.ndx 10397 02-07-2015 13:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/mdout-373K_75.mdp 35713 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/mol_types_373K_75.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/run_gmx.sh 409584 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/state.cpt 409584 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/state_prev.cpt 389098 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/table.xvg 58359 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/table_C_C.xvg 58618 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/table_C_Na.xvg 58325 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/table_C_S.xvg 58582 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/table_Na_Na.xvg 58441 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/table_S_Na.xvg 58417 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/table_S_S.xvg 10101 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Equil/table_b0.xvg 0 02-08-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/ 7410 02-07-2015 22:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/#mdrun.log.1# 352152 02-07-2015 22:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/373K_75.confout.gro 5541476 02-07-2015 22:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/373K_75.edr 2105 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/373K_75.mdp 9786 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/373K_75.top 302548 02-07-2015 18:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/373K_75.tpr 1838267580 02-07-2015 22:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/373K_75.trr 1330 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/bonds.xvg 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/calc_dist.sh 375 02-07-2015 18:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/cgPEO_373K_75_Prodrun.o3885565 46379 02-08-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/cgPEO_calcdist.o3886225 94019 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/distance.xvg 41865 02-07-2015 18:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/index.ndx 10393 02-07-2015 18:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/mdout-373K_75.mdp 1813517 02-07-2015 22:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/mol_types_373K_75.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/qsub_xv_calcdist.sh 32033 02-08-2015 11:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/rdf_C-C.xvg 32034 02-08-2015 11:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/rdf_C-Na.xvg 32035 02-08-2015 11:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/rdf_C-S.xvg 32035 02-08-2015 11:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/rdf_Na-Na.xvg 32035 02-08-2015 11:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/rdf_S-Na.xvg 32034 02-08-2015 11:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/run_gmx.sh 409584 02-07-2015 22:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/state.cpt 409584 02-07-2015 22:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/state_prev.cpt 389098 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/table.xvg 58359 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/table_C_C.xvg 58618 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/table_C_S.xvg 58582 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/table_S_S.xvg 10101 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_75/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/ 0 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/ 6272 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/#mdrun.log.1# 240616 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/373K_83.1frame.gro 240615 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/373K_83.Emin.gro 2115 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/373K_83.Emin.mdp 14044 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/373K_83.edr 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/373K_83.top 315028 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/373K_83.tpr 256772 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/373K_83.trr 104 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/cgPEO_373K_83_Emin.o3885467 41766 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/index.ndx 10413 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/mdout-373K_83.mdp 26326 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/mol_types_373K_83.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/run_gmx.sh 389098 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/table.xvg 58359 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/table_C_C.xvg 58618 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/table_C_Na.xvg 58325 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/table_C_S.xvg 58582 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/table_Na_Na.xvg 58441 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/table_S_Na.xvg 58417 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/table_S_S.xvg 10101 02-07-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Emin/table_b0.xvg 0 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/ 7415 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/#mdrun.log.1# 2101 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/373K_83.Equil.mdp 368919 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/373K_83.confout.gro 56876 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/373K_83.edr 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/373K_83.top 315028 02-07-2015 13:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/373K_83.tpr 19638876 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/373K_83.trr 375 02-07-2015 13:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/cgPEO_373K_83_Equil.o3885508 41868 02-07-2015 13:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/index.ndx 10397 02-07-2015 13:08 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/mdout-373K_83.mdp 35709 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/mol_types_373K_83.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/run_gmx.sh 427080 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/state.cpt 427080 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/state_prev.cpt 389098 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/table.xvg 58359 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/table_C_C.xvg 58618 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/table_C_Na.xvg 58325 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/table_C_S.xvg 58582 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/table_Na_Na.xvg 58441 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/table_S_Na.xvg 58417 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/table_S_S.xvg 10101 02-07-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Equil/table_b0.xvg 0 02-08-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/ 7541 02-07-2015 22:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/#mdrun.log.1# 368919 02-07-2015 22:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/373K_83.confout.gro 5541476 02-07-2015 22:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/373K_83.edr 2104 02-07-2015 12:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/373K_83.mdp 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/373K_83.top 315028 02-07-2015 18:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/373K_83.tpr --------- ------- 3617641292 178 files ===================================================== Content of ZIP archive 09.23.14-050.zip ===================================================== Archive: 09.23.14-050.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 02-07-2015 22:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/373K_83.trr 1330 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/calc_dist.sh 375 02-07-2015 18:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/cgPEO_373K_83_Prodrun.o3885568 46394 02-08-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/cgPEO_calcdist.o3886226 94019 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/distance.xvg 41888 02-07-2015 18:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/index.ndx 10393 02-07-2015 18:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/mdout-373K_83.mdp 1813819 02-07-2015 22:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/mol_types_373K_83.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/qsub_xv_calcdist.sh 31967 02-08-2015 11:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/rdf_C-C.xvg 31969 02-08-2015 11:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/rdf_C-Na.xvg 31968 02-08-2015 11:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/rdf_C-S.xvg 31969 02-08-2015 12:00 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/rdf_Na-Na.xvg 31969 02-08-2015 11:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/rdf_S-Na.xvg 31969 02-08-2015 11:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/run_gmx.sh 427080 02-07-2015 22:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/state.cpt 427080 02-07-2015 22:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/state_prev.cpt 389098 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/table.xvg 58359 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/table_C_C.xvg 58618 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/table_C_S.xvg 58582 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/table_S_S.xvg 10101 02-07-2015 13:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_373K_83/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/ 0 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/ 6264 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/#mdrun.log.1# 262487 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/398K_100.1frame.gro 262485 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/398K_100.Emin.gro 2100 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/398K_100.Emin.mdp 10552 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/398K_100.edr 1393 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/398K_100.top 306228 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/398K_100.tpr 280100 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/398K_100.trr 104 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/cgPEO_398K_100_Emin.o3885479 3477 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/index.ndx 10399 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/mdout-398K_100.mdp 24346 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/mol_types_398K_100.itp 227 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/qsub_cgsim_Emin.sh 2102 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/run_gmx.sh 389098 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/table.xvg 58359 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/table_C_C.xvg 58618 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/table_C_Na.xvg 58325 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/table_C_S.xvg 58582 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/table_Na_Na.xvg 58441 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/table_S_Na.xvg 58417 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/table_S_S.xvg 10101 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Emin/table_b0.xvg 0 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/ 7505 02-07-2015 14:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/#mdrun.log.1# 2086 02-07-2015 12:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/398K_100.Equil.mdp 402453 02-07-2015 14:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/398K_100.confout.gro 49460 02-07-2015 14:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/398K_100.edr 1393 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/398K_100.top 306228 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/398K_100.tpr 21423468 02-07-2015 14:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/398K_100.trr 375 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/cgPEO_398K_100_Equil.o3885516 3532 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/index.ndx 10383 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/mdout-398K_100.mdp 35013 02-07-2015 14:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/mol_types_398K_100.itp 229 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/qsub_cgsim_Equil.sh 2112 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/run_gmx.sh 461928 02-07-2015 14:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/state.cpt 461928 02-07-2015 14:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/state_prev.cpt 389098 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/table.xvg 58359 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/table_C_C.xvg 58618 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/table_C_Na.xvg 58325 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/table_C_S.xvg 58582 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/table_Na_Na.xvg 58441 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/table_S_Na.xvg 58417 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/table_S_S.xvg 10101 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Equil/table_b0.xvg 0 02-08-2015 12:12 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/ 7481 02-08-2015 02:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/#mdrun.log.1# 402453 02-08-2015 02:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/398K_100.confout.gro 4821260 02-08-2015 02:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/398K_100.edr 2089 02-07-2015 12:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/398K_100.mdp 1393 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/398K_100.top 306228 02-07-2015 22:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/398K_100.tpr 2100760068 02-08-2015 02:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/398K_100.trr 1330 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/bonds.xvg 1907 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/calc_dist.sh 375 02-07-2015 22:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/cgPEO_398K_100_Prodrun.o3885606 25782 02-08-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/cgPEO_calcdist.o3886234 94019 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/distance.xvg 3565 02-07-2015 22:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/index.ndx 10379 02-07-2015 22:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/mdout-398K_100.mdp 1812877 02-08-2015 02:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/mol_types_398K_100.itp 231 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/qsub_xv_calcdist.sh 32145 02-08-2015 12:11 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/rdf_Na-Na.xvg 32144 02-08-2015 11:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/rdf_S-Na.xvg 32147 02-08-2015 11:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/rdf_S-S.xvg 2110 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/run_gmx.sh 461928 02-08-2015 02:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/state.cpt 461928 02-08-2015 02:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/state_prev.cpt 389098 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/table.xvg 58359 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/table_C_C.xvg 58618 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/table_C_S.xvg 58582 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/table_S_S.xvg 10101 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_100/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/ 0 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/ 5963 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/#mdrun.log.1# 164071 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/398K_25.1frame.gro 164070 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/398K_25.Emin.gro 2116 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/398K_25.Emin.mdp 27112 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/398K_25.edr 9792 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/398K_25.top 226728 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/398K_25.tpr 175124 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/398K_25.trr 38 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/cgPEO_398K_25_Emin.o3885469 41768 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/grompp.log 60831 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/index.ndx 10413 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/mdout-398K_25.mdp 34087 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/mol_types_398K_25.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/run_gmx.sh 389098 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/table.xvg 58359 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/table_C_C.xvg 58618 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/table_C_Na.xvg 58325 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/table_C_S.xvg 58582 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/table_Na_Na.xvg 58441 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/table_S_Na.xvg 58417 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/table_S_S.xvg 10101 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Emin/table_b0.xvg 0 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/ 7527 02-07-2015 13:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/#mdrun.log.1# 2102 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/398K_25.Equil.mdp 251550 02-07-2015 13:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/398K_25.confout.gro 56876 02-07-2015 13:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/398K_25.edr 9792 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/398K_25.top 226728 02-07-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/398K_25.tpr 13392804 02-07-2015 13:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/398K_25.trr 375 02-07-2015 13:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/cgPEO_398K_25_Equil.o3885510 41881 02-07-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/grompp.log 60831 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/index.ndx 10397 02-07-2015 13:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/mdout-398K_25.mdp 35754 02-07-2015 13:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/mol_types_398K_25.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/run_gmx.sh 304608 02-07-2015 13:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/state.cpt 389098 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/table.xvg 58359 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/table_C_C.xvg 58618 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/table_C_Na.xvg 58325 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/table_C_S.xvg 58582 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/table_Na_Na.xvg 58441 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/table_S_Na.xvg 58417 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/table_S_S.xvg 10101 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Equil/table_b0.xvg 0 02-08-2015 11:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/ 7542 02-07-2015 21:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/#mdrun.log.1# 251550 02-07-2015 21:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/398K_25.confout.gro 5541476 02-07-2015 21:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/398K_25.edr 2105 02-07-2015 12:16 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/398K_25.mdp 9792 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/398K_25.top 226728 02-07-2015 19:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/398K_25.tpr --------- ------- 4088665455 174 files ===================================================== Content of ZIP archive 09.23.14-051.zip ===================================================== Archive: 09.23.14-051.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 02-07-2015 21:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/398K_25.trr 1330 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/calc_dist.sh 375 02-07-2015 19:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/cgPEO_398K_25_Prodrun.o3885570 46363 02-08-2015 11:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/cgPEO_calcdist.o3886228 94019 02-08-2015 11:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/distance.xvg 41887 02-07-2015 19:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/grompp.log 60831 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/index.ndx 10393 02-07-2015 19:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/mdout-398K_25.mdp 1813318 02-07-2015 21:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/mol_types_398K_25.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/qsub_xv_calcdist.sh 31881 02-08-2015 11:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/rdf_C-C.xvg 31880 02-08-2015 11:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/rdf_C-Na.xvg 31880 02-08-2015 11:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/rdf_C-S.xvg 31881 02-08-2015 11:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/rdf_Na-Na.xvg 31879 02-08-2015 11:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/rdf_S-Na.xvg 31880 02-08-2015 11:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/run_gmx.sh 304608 02-07-2015 21:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/state.cpt 304608 02-07-2015 21:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/state_prev.cpt 389098 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/table.xvg 58359 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/table_C_C.xvg 58618 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/table_C_S.xvg 58582 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/table_S_S.xvg 10101 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_25/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/ 0 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/ 5971 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/#mdrun.log.1# 181081 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/398K_38.1frame.gro 181080 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/398K_38.Emin.gro 2116 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/398K_38.Emin.mdp 16816 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/398K_38.edr 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/398K_38.top 246508 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/398K_38.tpr 193268 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/398K_38.trr 38 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/cgPEO_398K_38_Emin.o3885474 41775 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/grompp.log 64662 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/index.ndx 10414 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/mdout-398K_38.mdp 26488 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/mdrun.log 10601 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/mol_types_398K_38.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/run_gmx.sh 389098 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/table.xvg 58359 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/table_C_C.xvg 58618 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/table_C_Na.xvg 58325 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/table_C_S.xvg 58582 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/table_Na_Na.xvg 58441 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/table_S_Na.xvg 58417 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/table_S_S.xvg 10101 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Emin/table_b0.xvg 0 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/ 7531 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/#mdrun.log.1# 2102 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/398K_38.Equil.mdp 277632 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/398K_38.confout.gro 56876 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/398K_38.edr 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/398K_38.top 246508 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/398K_38.tpr 14780820 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/398K_38.trr 375 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/cgPEO_398K_38_Equil.o3885511 41867 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/grompp.log 64662 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/index.ndx 10398 02-07-2015 13:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/mdout-398K_38.mdp 35820 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/mdrun.log 10601 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/mol_types_398K_38.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/run_gmx.sh 331824 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/state.cpt 331824 02-07-2015 13:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/state_prev.cpt 389098 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/table.xvg 58359 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/table_C_C.xvg 58618 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/table_C_Na.xvg 58325 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/table_C_S.xvg 58582 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/table_Na_Na.xvg 58441 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/table_S_Na.xvg 58417 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/table_S_S.xvg 10101 02-07-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Equil/table_b0.xvg 0 02-08-2015 11:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/ 7547 02-07-2015 22:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/#mdrun.log.1# 277632 02-07-2015 22:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/398K_38.confout.gro 5541476 02-07-2015 22:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/398K_38.edr 2105 02-07-2015 12:17 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/398K_38.mdp 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/398K_38.top 246508 02-07-2015 19:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/398K_38.tpr 1449389820 02-07-2015 22:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/398K_38.trr 1330 02-08-2015 11:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/calc_dist.sh 375 02-07-2015 19:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/cgPEO_398K_38_Prodrun.o3885571 46438 02-08-2015 11:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/cgPEO_calcdist.o3886229 94019 02-08-2015 11:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/distance.xvg 41883 02-07-2015 19:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/grompp.log 64662 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/index.ndx 10394 02-07-2015 19:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/mdout-398K_38.mdp 1813438 02-07-2015 22:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/mdrun.log 10601 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/mol_types_398K_38.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/qsub_xv_calcdist.sh 31990 02-08-2015 11:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/rdf_C-C.xvg 31991 02-08-2015 11:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/rdf_C-Na.xvg 31991 02-08-2015 11:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/rdf_C-S.xvg 31991 02-08-2015 11:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/rdf_Na-Na.xvg 31990 02-08-2015 11:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/rdf_S-Na.xvg 31990 02-08-2015 11:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/run_gmx.sh 331824 02-07-2015 22:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/state.cpt 331824 02-07-2015 22:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/state_prev.cpt 389098 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/table.xvg 58359 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/table_C_C.xvg 58618 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/table_C_Na.xvg 58325 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/table_C_S.xvg 58582 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/table_Na_Na.xvg 58441 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/table_S_Na.xvg 58417 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/table_S_S.xvg 10101 02-07-2015 13:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_38/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/ 0 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/ 5965 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/#mdrun.log.1# 196876 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/398K_50.1frame.gro 196875 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/398K_50.Emin.gro 2116 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/398K_50.Emin.mdp 14440 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/398K_50.edr 9790 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/398K_50.top 264676 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/398K_50.tpr 210116 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/398K_50.trr 38 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/cgPEO_398K_50_Emin.o3885475 41783 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/grompp.log 68220 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/index.ndx 10413 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/mdout-398K_50.mdp 24705 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/mol_types_398K_50.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/run_gmx.sh 389098 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/table.xvg 58359 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/table_C_C.xvg 58618 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/table_C_Na.xvg 58325 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/table_C_S.xvg 58582 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/table_Na_Na.xvg 58441 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/table_S_Na.xvg 58417 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/table_S_S.xvg 10101 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Emin/table_b0.xvg 0 02-07-2015 14:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/ 7518 02-07-2015 13:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/#mdrun.log.1# 2102 02-07-2015 12:18 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/398K_50.Equil.mdp 301851 02-07-2015 13:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/398K_50.confout.gro 56876 02-07-2015 13:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/398K_50.edr 9790 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/398K_50.top 264676 02-07-2015 13:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/398K_50.tpr 16069692 02-07-2015 13:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/398K_50.trr 375 02-07-2015 13:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/cgPEO_398K_50_Equil.o3885512 41870 02-07-2015 13:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/grompp.log 68220 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/index.ndx 10397 02-07-2015 13:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/mdout-398K_50.mdp 35812 02-07-2015 13:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/mol_types_398K_50.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/run_gmx.sh 357096 02-07-2015 13:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/state.cpt 357096 02-07-2015 13:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/state_prev.cpt 389098 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/table.xvg 58359 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/table_C_C.xvg 58618 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/table_C_Na.xvg 58325 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/table_C_S.xvg 58582 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/table_Na_Na.xvg 58441 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/table_S_Na.xvg 58417 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/table_S_S.xvg 10101 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Equil/table_b0.xvg 0 02-08-2015 11:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/ 7536 02-08-2015 00:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/#mdrun.log.1# 301851 02-08-2015 00:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/398K_50.confout.gro 5541476 02-08-2015 00:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/398K_50.edr 2105 02-07-2015 12:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/398K_50.mdp 9790 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/398K_50.top 264676 02-07-2015 21:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/398K_50.tpr 1575775092 02-08-2015 00:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/398K_50.trr 1330 02-08-2015 11:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/calc_dist.sh 375 02-07-2015 21:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/cgPEO_398K_50_Prodrun.o3885602 46436 02-08-2015 11:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/cgPEO_calcdist.o3886230 94019 02-08-2015 11:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/distance.xvg 41918 02-07-2015 21:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/grompp.log 68220 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/index.ndx 10393 02-07-2015 21:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/mdout-398K_50.mdp 1813640 02-08-2015 00:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/mol_types_398K_50.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/qsub_xv_calcdist.sh 32099 02-08-2015 11:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/rdf_C-C.xvg 32101 02-08-2015 11:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/rdf_C-Na.xvg 32101 02-08-2015 11:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/rdf_C-S.xvg 32099 02-08-2015 11:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/rdf_Na-Na.xvg 32100 02-08-2015 11:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/rdf_S-Na.xvg 32101 02-08-2015 11:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/run_gmx.sh 357096 02-08-2015 00:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/state.cpt 357096 02-08-2015 00:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/state_prev.cpt 389098 02-07-2015 14:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/table.xvg 58359 02-07-2015 14:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/table_C_C.xvg 58618 02-07-2015 14:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/table_C_S.xvg 58582 02-07-2015 14:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/table_S_S.xvg 10101 02-07-2015 14:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_50/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/ 0 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/ 5957 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/#mdrun.log.1# 213886 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/398K_63.1frame.gro 213885 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/398K_63.Emin.gro 2116 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/398K_63.Emin.mdp 12856 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/398K_63.edr 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/398K_63.top 284452 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/398K_63.tpr 228260 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/398K_63.trr 38 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/cgPEO_398K_63_Emin.o3885476 41798 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/grompp.log 72050 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/index.ndx 10414 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/mdout-398K_63.mdp 23536 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/mdrun.log 10602 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/mol_types_398K_63.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/run_gmx.sh 389098 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/table.xvg 58359 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/table_C_C.xvg 58618 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/table_C_Na.xvg 58325 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/table_C_S.xvg 58582 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/table_Na_Na.xvg 58441 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/table_S_Na.xvg 58417 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/table_S_S.xvg 10101 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Emin/table_b0.xvg 0 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/ 7409 02-07-2015 13:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/#mdrun.log.1# 2102 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/398K_63.Equil.mdp 327933 02-07-2015 13:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/398K_63.confout.gro 56876 02-07-2015 13:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/398K_63.edr 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/398K_63.top 284452 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/398K_63.tpr 17457708 02-07-2015 13:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/398K_63.trr 375 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/cgPEO_398K_63_Equil.o3885513 41898 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/grompp.log 72050 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/index.ndx 10398 02-07-2015 13:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/mdout-398K_63.mdp 35703 02-07-2015 13:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/mdrun.log 10602 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/mol_types_398K_63.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/run_gmx.sh 384312 02-07-2015 13:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/state.cpt 384312 02-07-2015 13:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/state_prev.cpt 389098 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/table.xvg 58359 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/table_C_C.xvg 58618 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/table_C_Na.xvg 58325 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/table_C_S.xvg 58582 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/table_Na_Na.xvg 58441 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/table_S_Na.xvg 58417 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/table_S_S.xvg 10101 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Equil/table_b0.xvg 0 02-08-2015 11:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/ 7514 02-08-2015 00:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/#mdrun.log.1# 327933 02-08-2015 00:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/398K_63.confout.gro 5541476 02-08-2015 00:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/398K_63.edr 2105 02-07-2015 12:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/398K_63.mdp 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/398K_63.top 284452 02-07-2015 21:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/398K_63.tpr --------- ------- 4428487576 267 files ===================================================== Content of ZIP archive 09.23.14-052.zip ===================================================== Archive: 09.23.14-052.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 02-08-2015 00:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/398K_63.trr 1330 02-08-2015 11:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/calc_dist.sh 375 02-07-2015 21:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/cgPEO_398K_63_Prodrun.o3885603 46379 02-08-2015 11:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/cgPEO_calcdist.o3886231 94019 02-08-2015 11:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/distance.xvg 41886 02-07-2015 21:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/grompp.log 72050 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/index.ndx 10394 02-07-2015 21:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/mdout-398K_63.mdp 1813618 02-08-2015 00:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/mdrun.log 10602 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/mol_types_398K_63.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/qsub_xv_calcdist.sh 32011 02-08-2015 11:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/rdf_C-C.xvg 32014 02-08-2015 11:30 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/rdf_C-Na.xvg 32013 02-08-2015 11:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/rdf_C-S.xvg 32013 02-08-2015 11:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/rdf_Na-Na.xvg 32012 02-08-2015 11:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/rdf_S-Na.xvg 32015 02-08-2015 11:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/run_gmx.sh 384312 02-08-2015 00:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/state.cpt 384312 02-08-2015 00:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/state_prev.cpt 389098 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/table.xvg 58359 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/table_C_C.xvg 58618 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/table_C_S.xvg 58582 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/table_S_S.xvg 10101 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_63/Prod_run/table_b0.xvg 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/ 0 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/ 6288 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/#mdrun.log.1# 229682 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/398K_75.1frame.gro 229680 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/398K_75.Emin.gro 2116 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/398K_75.Emin.mdp 11668 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/398K_75.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/398K_75.top 302548 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/398K_75.tpr 245108 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/398K_75.trr 104 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/cgPEO_398K_75_Emin.o3885477 41824 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/index.ndx 10413 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/mdout-398K_75.mdp 24705 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/mol_types_398K_75.itp 226 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/run_gmx.sh 389098 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/table.xvg 58359 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/table_C_C.xvg 58618 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/table_C_Na.xvg 58325 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/table_C_S.xvg 58582 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/table_Na_Na.xvg 58441 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/table_S_Na.xvg 58417 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/table_S_S.xvg 10101 02-07-2015 12:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Emin/table_b0.xvg 0 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/ 7562 02-07-2015 13:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/#mdrun.log.1# 2102 02-07-2015 12:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/398K_75.Equil.mdp 352152 02-07-2015 13:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/398K_75.confout.gro 56876 02-07-2015 13:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/398K_75.edr 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/398K_75.top 302548 02-07-2015 13:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/398K_75.tpr 18746580 02-07-2015 13:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/398K_75.trr 375 02-07-2015 13:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/cgPEO_398K_75_Equil.o3885514 41874 02-07-2015 13:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/index.ndx 10397 02-07-2015 13:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/mdout-398K_75.mdp 35826 02-07-2015 13:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/mol_types_398K_75.itp 228 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/run_gmx.sh 409584 02-07-2015 13:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/state.cpt 409584 02-07-2015 13:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/state_prev.cpt 389098 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/table.xvg 58359 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/table_C_C.xvg 58618 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/table_C_Na.xvg 58325 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/table_C_S.xvg 58582 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/table_Na_Na.xvg 58441 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/table_S_Na.xvg 58417 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/table_S_S.xvg 10101 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Equil/table_b0.xvg 0 02-08-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/ 7519 02-08-2015 01:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/#mdrun.log.1# 352152 02-08-2015 01:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/398K_75.confout.gro 5541476 02-08-2015 01:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/398K_75.edr 2105 02-07-2015 12:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/398K_75.mdp 9791 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/398K_75.top 302548 02-07-2015 21:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/398K_75.tpr 1838267580 02-08-2015 01:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/398K_75.trr 1330 02-08-2015 11:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/bonds.xvg 1894 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/calc_dist.sh 375 02-07-2015 21:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/cgPEO_398K_75_Prodrun.o3885604 46416 02-08-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/cgPEO_calcdist.o3886232 94019 02-08-2015 11:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/distance.xvg 41856 02-07-2015 21:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/grompp.log 75606 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/index.ndx 10393 02-07-2015 21:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/mdout-398K_75.mdp 1813626 02-08-2015 01:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/mdrun.log 10603 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/mol_types_398K_75.itp 230 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/qsub_xv_calcdist.sh 32144 02-08-2015 11:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/rdf_C-C.xvg 32146 02-08-2015 11:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/rdf_C-Na.xvg 32145 02-08-2015 11:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/rdf_C-S.xvg 32144 02-08-2015 11:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/rdf_Na-Na.xvg 32144 02-08-2015 11:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/rdf_S-Na.xvg 32144 02-08-2015 11:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/run_gmx.sh 409584 02-08-2015 01:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/state.cpt 409584 02-08-2015 01:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/state_prev.cpt 389098 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/table.xvg 58359 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/table_C_C.xvg 58618 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/table_C_S.xvg 58582 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/table_S_S.xvg 10101 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_75/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/ 0 02-07-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/ 6285 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/#mdrun.log.1# 240616 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/398K_83.1frame.gro 240615 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/398K_83.Emin.gro 2115 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/398K_83.Emin.mdp 14440 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/398K_83.edr 9792 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/398K_83.top 315028 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/398K_83.tpr 256772 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/398K_83.trr 104 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/cgPEO_398K_83_Emin.o3885478 41796 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/index.ndx 10413 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/mdout-398K_83.mdp 26666 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/mol_types_398K_83.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/qsub_cgsim_Emin.sh 2101 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/run_gmx.sh 389098 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/table.xvg 58359 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/table_C_C.xvg 58618 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/table_C_Na.xvg 58325 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/table_C_S.xvg 58582 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/table_Na_Na.xvg 58441 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/table_S_Na.xvg 58417 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/table_S_S.xvg 10101 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Emin/table_b0.xvg 0 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/ 7551 02-07-2015 13:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/#mdrun.log.1# 2101 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/398K_83.Equil.mdp 368919 02-07-2015 13:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/398K_83.confout.gro 56876 02-07-2015 13:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/398K_83.edr 9792 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/398K_83.top 315028 02-07-2015 13:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/398K_83.tpr 19638876 02-07-2015 13:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/398K_83.trr 375 02-07-2015 13:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/cgPEO_398K_83_Equil.o3885515 41849 02-07-2015 13:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/index.ndx 10397 02-07-2015 13:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/mdout-398K_83.mdp 35825 02-07-2015 13:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/mol_types_398K_83.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/run_gmx.sh 427080 02-07-2015 13:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/state.cpt 427080 02-07-2015 13:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/state_prev.cpt 389098 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/table.xvg 58359 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/table_C_C.xvg 58618 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/table_C_Na.xvg 58325 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/table_C_S.xvg 58582 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/table_Na_Na.xvg 58441 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/table_S_Na.xvg 58417 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/table_S_S.xvg 10101 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Equil/table_b0.xvg 0 02-08-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/ 7503 02-08-2015 02:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/#mdrun.log.1# 368919 02-08-2015 02:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/398K_83.confout.gro 5541476 02-08-2015 02:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/398K_83.edr 2104 02-07-2015 12:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/398K_83.mdp 9792 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/398K_83.top 315028 02-07-2015 22:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/398K_83.tpr --------- ------- 3617641140 178 files ===================================================== Content of ZIP archive 09.23.14-053.zip ===================================================== Archive: 09.23.14-053.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 02-08-2015 02:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/398K_83.trr 1330 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/calc_dist.sh 375 02-07-2015 22:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/cgPEO_398K_83_Prodrun.o3885605 46384 02-08-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/cgPEO_calcdist.o3886233 94019 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/distance.xvg 41867 02-07-2015 22:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/index.ndx 10393 02-07-2015 22:19 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/mdout-398K_83.mdp 1813746 02-08-2015 02:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/mol_types_398K_83.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/qsub_xv_calcdist.sh 32187 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/rdf_C-C.xvg 32188 02-08-2015 11:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/rdf_C-Na.xvg 32188 02-08-2015 11:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/rdf_C-S.xvg 32190 02-08-2015 12:02 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/rdf_Na-Na.xvg 32189 02-08-2015 11:49 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/rdf_S-Na.xvg 32189 02-08-2015 11:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/run_gmx.sh 427080 02-08-2015 02:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/state.cpt 427080 02-08-2015 02:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/state_prev.cpt 389098 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/table.xvg 58359 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/table_C_C.xvg 58618 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/table_C_S.xvg 58582 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/table_S_S.xvg 10101 02-07-2015 14:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_398K_83/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/ 0 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/ 6297 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/#mdrun.log.1# 262487 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/423K_100.1frame.gro 262485 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/423K_100.Emin.gro 2101 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/423K_100.Emin.mdp 6724 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/423K_100.edr 1391 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/423K_100.top 306228 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/423K_100.tpr 280100 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/423K_100.trr 104 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/cgPEO_423K_100_Emin.o3885499 3445 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/index.ndx 10400 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/mdout-423K_100.mdp 21136 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/mol_types_423K_100.itp 227 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/qsub_cgsim_Emin.sh 2102 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/run_gmx.sh 389098 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/table.xvg 58359 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/table_C_C.xvg 58618 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/table_C_Na.xvg 58325 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/table_C_S.xvg 58582 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/table_Na_Na.xvg 58441 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/table_S_Na.xvg 58417 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/table_S_S.xvg 10101 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Emin/table_b0.xvg 0 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/ 7538 02-07-2015 14:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/#mdrun.log.1# 2088 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/423K_100.Equil.mdp 402453 02-07-2015 14:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/423K_100.confout.gro 49460 02-07-2015 14:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/423K_100.edr 1391 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/423K_100.top 306228 02-07-2015 14:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/423K_100.tpr 21423468 02-07-2015 14:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/423K_100.trr 375 02-07-2015 14:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/cgPEO_423K_100_Equil.o3885523 3539 02-07-2015 14:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/index.ndx 10384 02-07-2015 14:07 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/mdout-423K_100.mdp 35010 02-07-2015 14:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/mol_types_423K_100.itp 229 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/qsub_cgsim_Equil.sh 2112 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/run_gmx.sh 461928 02-07-2015 14:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/state.cpt 461928 02-07-2015 14:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/state_prev.cpt 389098 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/table.xvg 58359 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/table_C_C.xvg 58618 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/table_C_Na.xvg 58325 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/table_C_S.xvg 58582 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/table_Na_Na.xvg 58441 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/table_S_Na.xvg 58417 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/table_S_S.xvg 10101 02-07-2015 12:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Equil/table_b0.xvg 0 02-08-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/ 7586 02-08-2015 03:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/#mdrun.log.1# 402453 02-08-2015 03:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/423K_100.confout.gro 4821260 02-08-2015 03:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/423K_100.edr 2091 02-07-2015 12:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/423K_100.mdp 1391 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/423K_100.top 306228 02-07-2015 22:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/423K_100.tpr 2100760068 02-08-2015 03:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/423K_100.trr 1311 02-08-2015 11:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/bonds.xvg 1907 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/calc_dist.sh 642 02-07-2015 22:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/cgPEO_398K_100_Prodrun.o3885615 25818 02-08-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/cgPEO_calcdist.o3886241 94019 02-08-2015 11:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/distance.xvg 3578 02-07-2015 22:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/grompp.log 82987 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/index.ndx 10380 02-07-2015 22:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/mdout-423K_100.mdp 1812992 02-08-2015 03:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/mdrun.log 544 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/mol_types_423K_100.itp 231 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/qsub_xv_calcdist.sh 32411 02-08-2015 12:13 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/rdf_Na-Na.xvg 32408 02-08-2015 11:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/rdf_S-Na.xvg 32411 02-08-2015 11:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/rdf_S-S.xvg 2110 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/run_gmx.sh 461928 02-08-2015 03:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/state.cpt 461928 02-08-2015 03:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/state_prev.cpt 389098 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/table.xvg 58359 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/table_C_C.xvg 58618 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/table_C_S.xvg 58582 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/table_S_S.xvg 10101 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_100/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/ 0 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/ 5970 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/#mdrun.log.1# 164067 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/423K_25.1frame.gro 164070 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/423K_25.Emin.gro 2116 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/423K_25.Emin.mdp 7312 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/423K_25.edr 9790 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/423K_25.top 226728 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/423K_25.tpr 175124 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/423K_25.trr 38 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/cgPEO_423K_25_Emin.o3885483 41784 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/grompp.log 60831 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/index.ndx 10413 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/mdout-423K_25.mdp 19534 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/mol_types_423K_25.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/run_gmx.sh 389098 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/table.xvg 58359 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/table_C_C.xvg 58618 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/table_C_Na.xvg 58325 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/table_C_S.xvg 58582 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/table_Na_Na.xvg 58441 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/table_S_Na.xvg 58417 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/table_S_S.xvg 10101 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Emin/table_b0.xvg 0 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/ 7525 02-07-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/#mdrun.log.1# 2102 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/423K_25.Equil.mdp 251550 02-07-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/423K_25.confout.gro 56876 02-07-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/423K_25.edr 9790 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/423K_25.top 226728 02-07-2015 13:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/423K_25.tpr 13392804 02-07-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/423K_25.trr 375 02-07-2015 13:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/cgPEO_423K_25_Equil.o3885517 41878 02-07-2015 13:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/grompp.log 60831 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/index.ndx 10397 02-07-2015 13:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/mdout-423K_25.mdp 35826 02-07-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/mol_types_423K_25.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/run_gmx.sh 304608 02-07-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/state.cpt 304608 02-07-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/state_prev.cpt 389098 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/table.xvg 58359 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/table_C_C.xvg 58618 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/table_C_Na.xvg 58325 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/table_C_S.xvg 58582 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/table_Na_Na.xvg 58441 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/table_S_Na.xvg 58417 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/table_S_S.xvg 10101 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Equil/table_b0.xvg 0 02-08-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/ 7419 02-08-2015 00:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/#mdrun.log.1# 251550 02-08-2015 00:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/423K_25.confout.gro 5541476 02-08-2015 00:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/423K_25.edr 2105 02-07-2015 12:26 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/423K_25.mdp 9790 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/423K_25.top 226728 02-07-2015 22:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/423K_25.tpr --------- ------- 4088931196 175 files ===================================================== Content of ZIP archive 09.23.14-054.zip ===================================================== Archive: 09.23.14-054.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 02-08-2015 00:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/423K_25.trr 1330 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/calc_dist.sh 375 02-07-2015 22:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/cgPEO_423K_25_Prodrun.o3885607 46389 02-08-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/cgPEO_calcdist.o3886235 94019 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/distance.xvg 41846 02-07-2015 22:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/grompp.log 60831 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/index.ndx 10393 02-07-2015 22:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/mdout-423K_25.mdp 1813199 02-08-2015 00:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/mol_types_423K_25.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/qsub_xv_calcdist.sh 31572 02-08-2015 11:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/rdf_C-C.xvg 31570 02-08-2015 11:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/rdf_C-Na.xvg 31573 02-08-2015 11:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/rdf_C-S.xvg 31571 02-08-2015 11:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/rdf_Na-Na.xvg 31571 02-08-2015 11:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/rdf_S-Na.xvg 31572 02-08-2015 11:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/run_gmx.sh 304608 02-08-2015 00:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/state.cpt 304608 02-08-2015 00:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/state_prev.cpt 389098 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/table.xvg 58359 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/table_C_C.xvg 58618 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/table_C_S.xvg 58582 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/table_S_S.xvg 10101 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_25/Prod_run/table_b0.xvg 0 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/ 0 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/ 5939 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/#mdrun.log.1# 181082 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/423K_38.1frame.gro 181080 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/423K_38.Emin.gro 2116 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/423K_38.Emin.mdp 15232 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/423K_38.edr 9789 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/423K_38.top 246508 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/423K_38.tpr 193268 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/423K_38.trr 38 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/cgPEO_423K_38_Emin.o3885484 41771 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/grompp.log 64662 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/index.ndx 10414 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/mdout-423K_38.mdp 25328 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/mdrun.log 10601 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/mol_types_423K_38.itp 226 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/run_gmx.sh 389098 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/table.xvg 58359 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/table_C_C.xvg 58618 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/table_C_Na.xvg 58325 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/table_C_S.xvg 58582 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/table_Na_Na.xvg 58441 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/table_S_Na.xvg 58417 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/table_S_S.xvg 10101 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Emin/table_b0.xvg 0 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/ 7536 02-07-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/#mdrun.log.1# 2102 02-07-2015 12:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/423K_38.Equil.mdp 277632 02-07-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/423K_38.confout.gro 56876 02-07-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/423K_38.edr 9789 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/423K_38.top 246508 02-07-2015 13:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/423K_38.tpr 14780820 02-07-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/423K_38.trr 375 02-07-2015 13:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/cgPEO_423K_38_Equil.o3885518 41898 02-07-2015 13:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/grompp.log 64662 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/index.ndx 10398 02-07-2015 13:52 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/mdout-423K_38.mdp 35810 02-07-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/mdrun.log 10601 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/mol_types_423K_38.itp 228 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/run_gmx.sh 331824 02-07-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/state.cpt 331824 02-07-2015 14:09 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/state_prev.cpt 389098 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/table.xvg 58359 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/table_C_C.xvg 58618 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/table_C_Na.xvg 58325 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/table_C_S.xvg 58582 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/table_Na_Na.xvg 58441 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/table_S_Na.xvg 58417 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/table_S_S.xvg 10101 02-07-2015 12:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Equil/table_b0.xvg 0 02-08-2015 11:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/ 7419 02-08-2015 00:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/#mdrun.log.1# 277632 02-08-2015 00:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/423K_38.confout.gro 5541476 02-08-2015 00:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/423K_38.edr 2105 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/423K_38.mdp 9789 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/423K_38.top 246508 02-07-2015 22:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/423K_38.tpr 1449389820 02-08-2015 00:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/423K_38.trr 1330 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/bonds.xvg 1894 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/calc_dist.sh 375 02-07-2015 22:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/cgPEO_423K_38_Prodrun.o3885608 46409 02-08-2015 11:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/cgPEO_calcdist.o3886236 94019 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/distance.xvg 41860 02-07-2015 22:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/grompp.log 64662 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/index.ndx 10394 02-07-2015 22:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/mdout-423K_38.mdp 1813257 02-08-2015 00:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/mdrun.log 10601 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/mol_types_423K_38.itp 230 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/qsub_xv_calcdist.sh 32079 02-08-2015 11:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/rdf_C-C.xvg 32079 02-08-2015 11:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/rdf_C-Na.xvg 32080 02-08-2015 11:31 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/rdf_C-S.xvg 32077 02-08-2015 11:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/rdf_Na-Na.xvg 32078 02-08-2015 11:41 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/rdf_S-Na.xvg 32078 02-08-2015 11:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/run_gmx.sh 331824 02-08-2015 00:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/state.cpt 331824 02-08-2015 00:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/state_prev.cpt 389098 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/table.xvg 58359 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/table_C_C.xvg 58618 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/table_C_S.xvg 58582 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/table_S_S.xvg 10101 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_38/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/ 0 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/ 5963 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/#mdrun.log.1# 196876 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/423K_50.1frame.gro 196875 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/423K_50.Emin.gro 2116 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/423K_50.Emin.mdp 14836 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/423K_50.edr 9790 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/423K_50.top 264676 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/423K_50.tpr 210116 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/423K_50.trr 38 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/cgPEO_423K_50_Emin.o3885485 41772 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/grompp.log 68220 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/index.ndx 10413 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/mdout-423K_50.mdp 25061 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/mol_types_423K_50.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/run_gmx.sh 389098 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/table.xvg 58359 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/table_C_C.xvg 58618 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/table_C_Na.xvg 58325 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/table_C_S.xvg 58582 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/table_Na_Na.xvg 58441 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/table_S_Na.xvg 58417 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/table_S_S.xvg 10101 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Emin/table_b0.xvg 0 02-07-2015 14:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/ 7416 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/#mdrun.log.1# 2102 02-07-2015 12:28 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/423K_50.Equil.mdp 301851 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/423K_50.confout.gro 56876 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/423K_50.edr 9790 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/423K_50.top 264676 02-07-2015 13:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/423K_50.tpr 16069692 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/423K_50.trr 375 02-07-2015 13:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/cgPEO_423K_50_Equil.o3885519 41887 02-07-2015 13:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/grompp.log 68220 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/index.ndx 10397 02-07-2015 13:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/mdout-423K_50.mdp 35709 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/mol_types_423K_50.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/run_gmx.sh 357096 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/state.cpt 357096 02-07-2015 14:10 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/state_prev.cpt 389098 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/table.xvg 58359 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/table_C_C.xvg 58618 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/table_C_Na.xvg 58325 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/table_C_S.xvg 58582 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/table_Na_Na.xvg 58441 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/table_S_Na.xvg 58417 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/table_S_S.xvg 10101 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Equil/table_b0.xvg 0 02-08-2015 11:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/ 7412 02-08-2015 01:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/#mdrun.log.1# 301851 02-08-2015 01:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/423K_50.confout.gro 5541476 02-08-2015 01:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/423K_50.edr 2105 02-07-2015 12:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/423K_50.mdp 9790 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/423K_50.top 264676 02-07-2015 22:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/423K_50.tpr 1575775092 02-08-2015 01:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/423K_50.trr 1330 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/calc_dist.sh 375 02-07-2015 22:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/cgPEO_423K_50_Prodrun.o3885609 46431 02-08-2015 11:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/cgPEO_calcdist.o3886237 94019 02-08-2015 11:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/distance.xvg 41866 02-07-2015 22:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/grompp.log 68220 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/index.ndx 10393 02-07-2015 22:33 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/mdout-423K_50.mdp 1813326 02-08-2015 01:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/mol_types_423K_50.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/qsub_xv_calcdist.sh 32208 02-08-2015 11:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/rdf_C-C.xvg 32211 02-08-2015 11:34 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/rdf_C-Na.xvg 32211 02-08-2015 11:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/rdf_C-S.xvg 32209 02-08-2015 11:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/rdf_Na-Na.xvg 32210 02-08-2015 11:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/rdf_S-Na.xvg 32212 02-08-2015 11:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/run_gmx.sh 357096 02-08-2015 01:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/state.cpt 357096 02-08-2015 01:15 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/state_prev.cpt 389098 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/table.xvg 58359 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/table_C_C.xvg 58618 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/table_C_S.xvg 58582 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/table_S_S.xvg 10101 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_50/Prod_run/table_b0.xvg 0 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/ 0 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/ 5951 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/#mdrun.log.1# 213886 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/423K_63.1frame.gro 213885 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/423K_63.Emin.gro 2116 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/423K_63.Emin.mdp 16024 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/423K_63.edr 9788 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/423K_63.top 284452 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/423K_63.tpr 228260 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/423K_63.trr 38 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/cgPEO_423K_63_Emin.o3885495 41776 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/grompp.log 72050 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/index.ndx 10414 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/mdout-423K_63.mdp 25864 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/mdrun.log 10602 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/mol_types_423K_63.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/run_gmx.sh 389098 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/table.xvg 58359 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/table_C_C.xvg 58618 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/table_C_Na.xvg 58325 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/table_C_S.xvg 58582 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/table_Na_Na.xvg 58441 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/table_S_Na.xvg 58417 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/table_S_S.xvg 10101 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Emin/table_b0.xvg 0 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/ 7539 02-07-2015 14:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/#mdrun.log.1# 2102 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/423K_63.Equil.mdp 327933 02-07-2015 14:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/423K_63.confout.gro 56876 02-07-2015 14:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/423K_63.edr 9788 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/423K_63.top 284452 02-07-2015 13:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/423K_63.tpr 17457708 02-07-2015 14:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/423K_63.trr 375 02-07-2015 13:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/cgPEO_423K_63_Equil.o3885520 41892 02-07-2015 13:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/grompp.log 72050 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/index.ndx 10398 02-07-2015 13:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/mdout-423K_63.mdp 35815 02-07-2015 14:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/mdrun.log 10602 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/mol_types_423K_63.itp 228 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/run_gmx.sh 384312 02-07-2015 14:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/state.cpt 384312 02-07-2015 14:14 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/state_prev.cpt 389098 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/table.xvg 58359 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/table_C_C.xvg 58618 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/table_C_Na.xvg 58325 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/table_C_S.xvg 58582 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/table_Na_Na.xvg 58441 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/table_S_Na.xvg 58417 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/table_S_S.xvg 10101 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Equil/table_b0.xvg 0 02-08-2015 11:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/ 7548 02-08-2015 01:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/#mdrun.log.1# 327933 02-08-2015 01:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/423K_63.confout.gro 5541476 02-08-2015 01:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/423K_63.edr 2105 02-07-2015 12:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/423K_63.mdp 9788 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/423K_63.top 284452 02-07-2015 22:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/423K_63.tpr --------- ------- 4428489443 267 files ===================================================== Content of ZIP archive 09.23.14-055.zip ===================================================== Archive: 09.23.14-055.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 02-08-2015 01:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/423K_63.trr 1330 02-08-2015 11:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/bonds.xvg 1894 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/calc_dist.sh 375 02-07-2015 22:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/cgPEO_423K_63_Prodrun.o3885612 46514 02-08-2015 11:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/cgPEO_calcdist.o3886238 94019 02-08-2015 11:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/distance.xvg 41862 02-07-2015 22:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/grompp.log 72050 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/index.ndx 10394 02-07-2015 22:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/mdout-423K_63.mdp 1813640 02-08-2015 01:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/mdrun.log 10602 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/mol_types_423K_63.itp 230 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/qsub_xv_calcdist.sh 32298 02-08-2015 11:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/rdf_C-C.xvg 32298 02-08-2015 11:32 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/rdf_C-Na.xvg 32298 02-08-2015 11:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/rdf_C-S.xvg 32299 02-08-2015 11:53 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/rdf_Na-Na.xvg 32298 02-08-2015 11:46 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/rdf_S-Na.xvg 32298 02-08-2015 11:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:56 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/run_gmx.sh 384312 02-08-2015 01:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/state.cpt 384312 02-08-2015 01:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/state_prev.cpt 389098 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/table.xvg 58359 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/table_C_C.xvg 58618 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/table_C_S.xvg 58582 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/table_S_S.xvg 10101 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_63/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/ 0 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/ 5970 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/#mdrun.log.1# 229682 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/423K_75.1frame.gro 229680 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/423K_75.Emin.gro 2113 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/423K_75.Emin.mdp 9688 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/423K_75.edr 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/423K_75.top 302548 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/423K_75.tpr 245108 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/423K_75.trr 38 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/cgPEO_423K_75_Emin.o3885496 41788 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/grompp.log 75606 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/index.ndx 10410 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/mdout-423K_75.mdp 21222 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/mdrun.log 10603 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/mol_types_423K_75.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/run_gmx.sh 389098 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/table.xvg 58359 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/table_C_C.xvg 58618 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/table_C_Na.xvg 58325 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/table_C_S.xvg 58582 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/table_Na_Na.xvg 58441 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/table_S_Na.xvg 58417 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/table_S_S.xvg 10101 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Emin/table_b0.xvg 0 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/ 7563 02-07-2015 14:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/#mdrun.log.1# 2099 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/423K_75.Equil.mdp 352152 02-07-2015 14:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/423K_75.confout.gro 56876 02-07-2015 14:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/423K_75.edr 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/423K_75.top 302548 02-07-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/423K_75.tpr 18746580 02-07-2015 14:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/423K_75.trr 375 02-07-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/cgPEO_423K_75_Equil.o3885521 41869 02-07-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/grompp.log 75606 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/index.ndx 10394 02-07-2015 13:57 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/mdout-423K_75.mdp 35826 02-07-2015 14:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/mdrun.log 10603 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/mol_types_423K_75.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/run_gmx.sh 409584 02-07-2015 14:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/state.cpt 409584 02-07-2015 14:20 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/state_prev.cpt 389098 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/table.xvg 58359 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/table_C_C.xvg 58618 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/table_C_Na.xvg 58325 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/table_C_S.xvg 58582 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/table_Na_Na.xvg 58441 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/table_S_Na.xvg 58417 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/table_S_S.xvg 10101 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Equil/table_b0.xvg 0 02-08-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/ 7425 02-08-2015 02:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/#mdrun.log.1# 352152 02-08-2015 02:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/423K_75.confout.gro 5541476 02-08-2015 02:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/423K_75.edr 2102 02-07-2015 12:36 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/423K_75.mdp 9791 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/423K_75.top 302548 02-07-2015 22:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/423K_75.tpr 1838267580 02-08-2015 02:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/423K_75.trr 1330 02-08-2015 11:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/calc_dist.sh 375 02-07-2015 22:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/cgPEO_423K_75_Prodrun.o3885613 46409 02-08-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/cgPEO_calcdist.o3886239 94019 02-08-2015 11:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/distance.xvg 41895 02-07-2015 22:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/grompp.log 75606 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/index.ndx 10390 02-07-2015 22:42 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/mdout-423K_75.mdp 1813519 02-08-2015 02:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/mdrun.log 10603 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/mol_types_423K_75.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/qsub_xv_calcdist.sh 32297 02-08-2015 11:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/rdf_C-C.xvg 32299 02-08-2015 11:29 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/rdf_C-Na.xvg 32299 02-08-2015 11:25 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/rdf_C-S.xvg 32299 02-08-2015 11:59 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/rdf_Na-Na.xvg 32299 02-08-2015 11:48 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/rdf_S-Na.xvg 32299 02-08-2015 11:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/run_gmx.sh 409584 02-08-2015 02:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/state.cpt 409584 02-08-2015 02:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/state_prev.cpt 389098 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/table.xvg 58359 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/table_C_C.xvg 58618 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/table_C_S.xvg 58582 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/table_S_S.xvg 10101 02-07-2015 14:39 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_75/Prod_run/table_b0.xvg 0 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/ 0 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/ 5951 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/#mdrun.log.1# 240616 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/423K_83.1frame.gro 240615 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/423K_83.Emin.gro 2115 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/423K_83.Emin.mdp 14836 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/423K_83.edr 9783 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/423K_83.top 315028 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/423K_83.tpr 256772 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/423K_83.trr 38 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/cgPEO_423K_83_Emin.o3885497 41775 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/index.ndx 10413 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/mdout-423K_83.mdp 25061 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/mol_types_423K_83.itp 226 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/qsub_cgsim_Emin.sh 2097 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/run_gmx.sh 389098 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/table.xvg 58359 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/table_C_C.xvg 58618 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/table_C_Na.xvg 58325 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/table_C_S.xvg 58582 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/table_Na_Na.xvg 58441 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/table_S_Na.xvg 58417 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/table_S_S.xvg 10101 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Emin/table_b0.xvg 0 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/ 7532 02-07-2015 14:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/#mdrun.log.1# 2101 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/423K_83.Equil.mdp 368919 02-07-2015 14:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/423K_83.confout.gro 56876 02-07-2015 14:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/423K_83.edr 9783 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/423K_83.top 315028 02-07-2015 13:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/423K_83.tpr 19638876 02-07-2015 14:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/423K_83.trr 375 02-07-2015 13:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/cgPEO_423K_83_Equil.o3885522 41878 02-07-2015 13:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/index.ndx 10397 02-07-2015 13:58 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/mdout-423K_83.mdp 35823 02-07-2015 14:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/mol_types_423K_83.itp 228 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/qsub_cgsim_Equil.sh 2111 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/run_gmx.sh 427080 02-07-2015 14:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/state.cpt 427080 02-07-2015 14:23 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/state_prev.cpt 389098 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/table.xvg 58359 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/table_C_C.xvg 58618 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/table_C_Na.xvg 58325 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/table_C_S.xvg 58582 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/table_Na_Na.xvg 58441 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/table_S_Na.xvg 58417 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/table_S_S.xvg 10101 02-07-2015 12:47 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Equil/table_b0.xvg 0 02-08-2015 12:04 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/ 7552 02-08-2015 02:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/#mdrun.log.1# 368919 02-08-2015 02:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/423K_83.confout.gro 5541476 02-08-2015 02:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/423K_83.edr 2104 02-07-2015 12:37 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/423K_83.mdp 9783 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/423K_83.top 315028 02-07-2015 22:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/423K_83.tpr --------- ------- 3617636227 178 files ===================================================== Content of ZIP archive 09.23.14-056.zip ===================================================== Archive: 09.23.14-056.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 02-08-2015 02:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/423K_83.trr 1330 02-08-2015 11:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/bonds.xvg 1894 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/calc_dist.sh 375 02-07-2015 22:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/cgPEO_423K_83_Prodrun.o3885614 46539 02-08-2015 12:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/cgPEO_calcdist.o3886240 94019 02-08-2015 11:21 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/distance.xvg 41884 02-07-2015 22:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/grompp.log 78069 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/index.ndx 10393 02-07-2015 22:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/mdout-423K_83.mdp 1813765 02-08-2015 02:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/mdrun.log 10604 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/mol_types_423K_83.itp 230 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/qsub_cgsim_NVT.sh 224 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/qsub_xv_calcdist.sh 32362 02-08-2015 11:22 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/rdf_C-C.xvg 32365 02-08-2015 11:27 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/rdf_C-Na.xvg 32364 02-08-2015 11:24 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/rdf_C-S.xvg 32366 02-08-2015 12:03 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/rdf_Na-Na.xvg 32364 02-08-2015 11:51 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/rdf_S-Na.xvg 32367 02-08-2015 11:38 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/rdf_S-S.xvg 2109 02-02-2015 07:55 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/run_gmx.sh 427080 02-08-2015 02:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/state.cpt 427080 02-08-2015 02:35 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/state_prev.cpt 389098 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/table.xvg 58359 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/table_C_C.xvg 58618 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/table_C_Na.xvg 58325 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/table_C_S.xvg 58582 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/table_Na_Na.xvg 58441 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/table_S_Na.xvg 58417 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/table_S_S.xvg 10101 02-07-2015 14:40 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_423K_83/Prod_run/table_b0.xvg 0 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/ 0 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/ 0 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/ 6283 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/#mdrun.log.1# 164071 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/373K_25.1frame.gro 164070 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/373K_25.Emin.gro 2115 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/373K_25.Emin.mdp 21172 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/373K_25.edr 9785 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/373K_25.top 226728 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/373K_25.tpr 175124 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/373K_25.trr 371 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/cgPEO_373K_25_Emin.o3813916 41781 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/grompp.log 60831 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/index.ndx 10413 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/mdout-373K_25.mdp 31672 02-06-2015 12:43 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/table_C_Na.xvg 58325 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/table_C_S.xvg 58582 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/table_Na_Na.xvg 58441 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/table_S_Na.xvg 58417 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/table_S_S.xvg 10101 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Emin/table_b0.xvg 0 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/ 7405 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/#mdrun.log.1# 2101 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/373K_25.Equil.mdp 251550 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/373K_25.confout.gro 56876 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/373K_25.edr 9785 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/373K_25.top 226728 02-06-2015 12:43 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/mdrun.log 10604 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/mol_types_373K_25.itp 228 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/qsub_cgsim_Equil.sh 2111 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/run_gmx.sh 304608 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/state.cpt 389098 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Equil/table.xvg 58359 02-06-2015 12:43 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/373K_25.top 226728 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/373K_25.tpr 1313282604 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/373K_25.trr 1330 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/bonds.xvg 1894 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/calc_dist.sh 370 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/cgPEO_373K_25_Prodrun.o3830804 46432 02-06-2015 12:43 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/table.xvg 58359 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/table_C_C.xvg 58618 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/table_C_Na.xvg 58325 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/table_C_S.xvg 58582 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/table_Na_Na.xvg 58441 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/table_S_Na.xvg 58417 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/table_S_S.xvg 10101 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_25/Prod_run/table_b0.xvg 0 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/ 0 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Emin/ 5982 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Emin/#mdrun.log.1# 196876 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Emin/373K_50.1frame.gro 196875 02-06-2015 12:43 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Emin/table_C_Na.xvg 58325 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Emin/table_C_S.xvg 58582 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Emin/table_Na_Na.xvg 58441 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Emin/table_S_Na.xvg 58417 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Emin/table_S_S.xvg 10101 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Emin/table_b0.xvg 0 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/ 7414 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/#mdrun.log.1# 2103 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/373K_50.Equil.mdp 301851 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/373K_50.confout.gro 56876 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/373K_50.edr 9787 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/373K_50.top 264672 02-06-2015 12:43 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/mdrun.log 10602 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/mol_types_373K_50.itp 232 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/qsub_cgsim_Equil.sh 228 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/qsub_xv.sh 2111 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/run_gmx.sh 357096 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Equil/state.cpt 357096 02-06-2015 12:43 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/mdout-373K_50.mdp 1813391 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/mdrun.log 10602 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/mol_types_373K_50.itp 234 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/qsub_cgsim_NVT.sh 230 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/qsub_xv.sh 224 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/qsub_xv_calcdist.sh 31923 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/rdf_C-C.xvg 31924 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/rdf_C-Na.xvg 31925 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/rdf_C-S.xvg 31925 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/rdf_Na-Na.xvg 31924 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/rdf_S-Na.xvg 31925 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_50/Prod_run/rdf_S-S.xvg 2109 02-06-2015 12:43 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_75/Prod_run/373K_75.trr 1330 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_75/Prod_run/bonds.xvg 1894 02-06-2015 12:43 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_75/Prod_run/calc_dist.sh 371 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_75/Prod_run/cgPEO_373K_75_Prodrun.o3830807 46389 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_75/Prod_run/cgPEO_calcdist.o3845649 94019 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_373K_75/Prod_run/distance.xvg 41861 02-06-2015 12:43 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/ 0 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/ 5961 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/#mdrun.log.1# 164071 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/398K_25.1frame.gro 164070 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/398K_25.Emin.gro 2121 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/398K_25.Emin.mdp 20380 02-06-2015 12:44 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/table.xvg 58359 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/table_C_C.xvg 58618 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/table_C_Na.xvg 58325 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/table_C_S.xvg 58582 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/table_Na_Na.xvg 58441 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/table_S_Na.xvg 58417 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/table_S_S.xvg 10101 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Emin/table_b0.xvg 0 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/ 7409 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/#mdrun.log.1# 2107 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/398K_25.Equil.mdp 251550 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/398K_25.confout.gro 56876 02-06-2015 12:44 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/state.cpt 389098 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/table.xvg 58359 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/table_C_C.xvg 58618 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/table_C_Na.xvg 58325 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/table_C_S.xvg 58582 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/table_Na_Na.xvg 58441 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/table_S_Na.xvg 58417 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/table_S_S.xvg 10101 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Equil/table_b0.xvg 0 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Prod_run/ 7522 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Prod_run/#mdrun.log.1# 251550 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Prod_run/398K_25.confout.gro 5541476 02-06-2015 12:44 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Prod_run/state.cpt 304608 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Prod_run/state_prev.cpt 389098 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Prod_run/table.xvg 58359 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Prod_run/table_C_C.xvg 58618 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Prod_run/table_C_Na.xvg 58325 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_25/Prod_run/table_C_S.xvg 58582 02-06-2015 12:44 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/398K_50.tpr 210116 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/398K_50.trr 38 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/cgPEO_398K_50_Emin.o3813929 41809 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/grompp.log 68220 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/index.ndx 10418 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/mdout-398K_50.mdp 23893 02-06-2015 12:44 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/table_C_Na.xvg 58325 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/table_C_S.xvg 58582 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/table_Na_Na.xvg 58441 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/table_S_Na.xvg 58417 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/table_S_S.xvg 10101 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Emin/table_b0.xvg 0 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/ 7397 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/#mdrun.log.1# 2107 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/398K_50.Equil.mdp 301851 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/398K_50.confout.gro 56876 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/398K_50.edr 9790 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/398K_50.top 264676 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/398K_50.tpr 16069692 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/398K_50.trr 375 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/cgPEO_398K_50_Equil.o3813942 41871 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/grompp.log 68220 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/index.ndx 10402 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/mdout-398K_50.mdp 35695 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/mdrun.log 10604 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/mol_types_398K_50.itp 228 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/qsub_cgsim_Equil.sh 2111 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/run_gmx.sh 357096 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/state.cpt 357096 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/state_prev.cpt 389098 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/table.xvg 58359 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/table_C_C.xvg 58618 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/table_C_Na.xvg 58325 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/table_C_S.xvg 58582 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/table_Na_Na.xvg 58441 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/table_S_Na.xvg 58417 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/table_S_S.xvg 10101 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Equil/table_b0.xvg 0 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/ 7438 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/#mdrun.log.1# 301851 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/398K_50.confout.gro 5541476 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/398K_50.edr 2110 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/398K_50.mdp 9790 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/398K_50.top 264676 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/398K_50.tpr 1575775092 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/398K_50.trr 1330 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/bonds.xvg 1894 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/calc_dist.sh 375 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/cgPEO_398K_50_Prodrun.o3830809 46345 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/cgPEO_calcdist.o3845651 94019 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/distance.xvg 41871 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/grompp.log 68220 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/index.ndx 10398 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/mdout-398K_50.mdp 1813321 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/mdrun.log 10604 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/mol_types_398K_50.itp 230 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/qsub_cgsim_NVT.sh 224 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/qsub_xv_calcdist.sh 32099 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/rdf_C-C.xvg 32100 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/rdf_C-Na.xvg 32100 02-06-2015 12:44 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/state_prev.cpt 389098 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/table.xvg 58359 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/table_C_C.xvg 58618 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/table_C_Na.xvg 58325 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/table_C_S.xvg 58582 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_398K_50/Prod_run/table_Na_Na.xvg 58441 02-06-2015 12:44 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Emin/table_C_Na.xvg 58325 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Emin/table_C_S.xvg 58582 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Emin/table_Na_Na.xvg 58441 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Emin/table_S_Na.xvg 58417 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Emin/table_S_S.xvg 10101 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Emin/table_b0.xvg 0 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/ 7393 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/#mdrun.log.1# 2101 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/423K_25.Equil.mdp 251550 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/423K_25.confout.gro 56876 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/423K_25.edr 9790 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/423K_25.top 226728 02-06-2015 12:44 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/mdrun.log 10604 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/mol_types_423K_25.itp 228 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/qsub_cgsim_Equil.sh 2111 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/run_gmx.sh 304608 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/state.cpt 389098 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Equil/table.xvg 58359 02-06-2015 12:44 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/423K_25.top 226728 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/423K_25.tpr 1313282604 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/423K_25.trr 1330 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/bonds.xvg 1894 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/calc_dist.sh 373 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/cgPEO_423K_25_Prodrun.o3830812 46319 02-06-2015 12:44 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/rdf_Na-Na.xvg 31570 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/rdf_S-Na.xvg 31570 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/rdf_S-S.xvg 2109 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/run_gmx.sh 304608 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/state.cpt 304608 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/state_prev.cpt 389098 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/table.xvg 58359 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/table_C_C.xvg 58618 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/table_C_Na.xvg 58325 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/table_C_S.xvg 58582 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/table_Na_Na.xvg 58441 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/table_S_Na.xvg 58417 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/table_S_S.xvg 10101 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_25/Prod_run/table_b0.xvg 0 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/ 0 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/ 5980 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/#mdrun.log.1# 196876 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/423K_50.1frame.gro 196875 02-06-2015 12:44 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/qsub_cgsim_Emin.sh 2097 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/run_gmx.sh 389098 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/table.xvg 58359 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/table_C_C.xvg 58618 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/table_C_Na.xvg 58325 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/table_C_S.xvg 58582 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/table_Na_Na.xvg 58441 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/table_S_Na.xvg 58417 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/table_S_S.xvg 10101 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Emin/table_b0.xvg 0 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/ 7404 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/#mdrun.log.1# 2101 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/423K_50.Equil.mdp 301851 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/423K_50.confout.gro 56876 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/423K_50.edr 9790 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/423K_50.top 264676 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/423K_50.tpr 16069692 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/423K_50.trr 642 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/cgPEO_423K_50_Equil.o3813961 41879 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/grompp.log 68220 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/index.ndx 10396 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/mdout-423K_50.mdp 35708 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/mdrun.log 10604 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/mol_types_423K_50.itp 228 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/qsub_cgsim_Equil.sh 2111 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/run_gmx.sh 357096 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/state.cpt 357096 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/state_prev.cpt 389098 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/table.xvg 58359 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/table_C_C.xvg 58618 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/table_C_Na.xvg 58325 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/table_C_S.xvg 58582 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/table_Na_Na.xvg 58441 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/table_S_Na.xvg 58417 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/table_S_S.xvg 10101 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Equil/table_b0.xvg 0 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/ 7538 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/#mdrun.log.1# 301851 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/423K_50.confout.gro 5541476 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/423K_50.edr 2104 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/423K_50.mdp 9790 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/423K_50.top 264676 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/423K_50.tpr 1575775092 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/423K_50.trr 1330 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/bonds.xvg 1894 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/calc_dist.sh 374 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/cgPEO_423K_50_Prodrun.o3830813 46431 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/cgPEO_calcdist.o3845654 94019 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/distance.xvg 41877 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/grompp.log 68220 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/index.ndx 10392 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/mdout-423K_50.mdp 1813505 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/mdrun.log 10604 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/mol_types_423K_50.itp 230 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/qsub_cgsim_NVT.sh 224 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/qsub_xv_calcdist.sh 32209 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/rdf_C-C.xvg 32212 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/rdf_C-Na.xvg 32211 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/rdf_C-S.xvg 32210 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/rdf_Na-Na.xvg 32210 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/rdf_S-Na.xvg 32212 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/rdf_S-S.xvg 2109 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/run_gmx.sh 357096 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/state.cpt 357096 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/state_prev.cpt 389098 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/table.xvg 58359 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/table_C_C.xvg 58618 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/table_C_Na.xvg 58325 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/table_C_S.xvg 58582 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/table_Na_Na.xvg 58441 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/table_S_Na.xvg 58417 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/table_S_S.xvg 10101 02-06-2015 12:44 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_50/Prod_run/table_b0.xvg 0 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_75/ 0 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_75/Emin/ 5954 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_75/Emin/#mdrun.log.1# 229682 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_75/Emin/423K_75.1frame.gro 229680 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_75/Emin/423K_75.Emin.gro 2115 02-06-2015 12:45 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===================================================== Content of ZIP archive 09.23.14-059.zip ===================================================== Archive: 09.23.14-059.zip Length Date Time Name --------- ---------- ----- ---- 1838267580 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_75/Prod_run/423K_75.trr 1330 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_75/Prod_run/bonds.xvg 1894 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_75/Prod_run/calc_dist.sh 375 02-06-2015 12:45 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/cgsim_training_dielectrics_scaled_from_fitted/cgsim_423K_75/Prod_run/cgPEO_423K_75_Prodrun.o3830814 46400 02-06-2015 12:45 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09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/f_SS.dat 2108 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/f_bond.dat 2108 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/f_struct.BondStretch.total.bonds.dat 3162 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/f_struct.Pair_Interaction.total.CC.dat 3193 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/f_struct.Pair_Interaction.total.CS.dat 3193 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/f_struct.Pair_Interaction.total.SS.dat 3949 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/f_zero.dat 1051 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/run.make_gmx4_table.sh 389098 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/table.xvg 58359 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/table_C_C.xvg 58618 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/table_C_Na.xvg 58325 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/table_C_S.xvg 58582 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/table_Na_Na.xvg 58441 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/table_S_Na.xvg 58417 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/table_S_S.xvg 10101 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/edit/table_b0.xvg 2108 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_forces.BondStretch.total.bonds.dat 3162 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_forces.Pair_Interaction.total.CC.dat 3193 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_forces.Pair_Interaction.total.CNa.dat 3131 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_forces.Pair_Interaction.total.CS.dat 3193 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_forces.Pair_Interaction.total.NaNa.dat 3286 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_forces.Pair_Interaction.total.SNa.dat 3069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_forces.Pair_Interaction.total.SS.dat 2108 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_struct.BondStretch.total.bonds.dat 3162 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_struct.Pair_Interaction.total.CC.dat 3193 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_struct.Pair_Interaction.total.CNa.dat 3131 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_struct.Pair_Interaction.total.CS.dat 3193 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_struct.Pair_Interaction.total.NaNa.dat 3286 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_struct.Pair_Interaction.total.SNa.dat 3069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/f_struct.Pair_Interaction.total.SS.dat 468 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/inp.txt 75904 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/log.txt 2991 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/out.total.txt 1883 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/par.txt 2069 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/qsub.sh 2076 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/qsub_xv.sh 18 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.FF.dat 13050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.L.dat 4876349 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.M.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.M2.dat 5410902 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.M_cnt.dat 7 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.Nf.dat 13396 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.b_forces.dat 13420 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.b_struct.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.d2M.dat 13660 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.d2b.dat 13673 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.g.dat 14656 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.g_cnt.dat 14656 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save.rescale.dat 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/ 18 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.FF.dat 13050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.L.dat 4851612 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.M.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.M2.dat 5342245 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.M_cnt.dat 7 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.Nf.dat 13401 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.b_forces.dat 13400 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.b_struct.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.d2M.dat 13657 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.d2b.dat 13668 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.g.dat 14454 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.g_cnt.dat 14454 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_25/save.rescale.dat 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/ 18 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.FF.dat 13050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.L.dat 4862458 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.M.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.M2.dat 5406207 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.M_cnt.dat 6 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.Nf.dat 13410 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.b_forces.dat 13424 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.b_struct.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.d2M.dat 13657 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.d2b.dat 13669 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.g.dat 14629 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.g_cnt.dat 14629 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_50/save.rescale.dat 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/ 18 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.FF.dat 13050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.L.dat 4865765 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.M.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.M2.dat 5412074 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.M_cnt.dat 7 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.Nf.dat 13427 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.b_forces.dat 13424 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.b_struct.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.d2M.dat 13657 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.d2b.dat 13667 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.g.dat 14659 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.g_cnt.dat 14659 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_373K_75/save.rescale.dat 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/ 18 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.FF.dat 13050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.L.dat 4858959 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.M.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.M2.dat 5343757 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.M_cnt.dat 7 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.Nf.dat 13388 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.b_forces.dat 13407 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.b_struct.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.d2M.dat 13656 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.d2b.dat 13670 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.g.dat 14456 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.g_cnt.dat 14456 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_25/save.rescale.dat 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/ 18 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.FF.dat 13050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.L.dat 4871288 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.M.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.M2.dat 5409664 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.M_cnt.dat 7 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.Nf.dat 13391 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.b_forces.dat 13412 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.b_struct.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.d2M.dat 13657 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.d2b.dat 13671 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.g.dat 14644 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.g_cnt.dat 14644 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_50/save.rescale.dat 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/ 18 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.FF.dat 13050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.L.dat 4876602 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.M.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.M2.dat 5414660 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.M_cnt.dat 7 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.Nf.dat 13402 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.b_forces.dat 13418 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.b_struct.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.d2M.dat 13657 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.d2b.dat 13668 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.g.dat 14659 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.g_cnt.dat 14659 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_398K_75/save.rescale.dat 0 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_423K_25/ 18 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_423K_25/save.FF.dat 13050 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_423K_25/save.L.dat 4860155 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_423K_25/save.M.dat 4737150 02-02-2015 07:54 09.23.14/CGFF/373K-398K-423K_X_25-50-75_refCoul/iter0/save_423K_25/save.M2.dat 5343880 02-02-2015 07:54 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09.23.14/CGFF/373K_100/iter0_3rdquarter/373K_100.tpr 2077 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3224 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 7896 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/S.dat 7896 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/S_CONST.dat 2077 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3224 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 333110 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/cgff-PEO_373K_100.o3667814 2077 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3224 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3224 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3224 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/inp.txt 41813 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/log.txt 2607 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/out.total.txt 1742 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/par.txt 2065 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/qsub.sh 2060 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.FF.dat 7562 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.L.dat 1548877 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.M.dat 1508619 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.M2.dat 1765803 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.Nf.dat 7562 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.b_forces.dat 7776 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.b_struct.dat 1508619 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.d2M.dat 7562 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.d2b.dat 7873 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.g.dat 8558 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.g_cnt.dat 8558 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/save.rescale.dat 4216 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/ 282920 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/373K_100.tpr 2077 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/L.BondStretch.total.bonds.dat 3224 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 7896 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/S.dat 7896 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/S_CONST.dat 2077 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3224 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 333110 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/cgff-PEO_373K_100.o3804378 2077 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3224 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/g.BondStretch.total.bonds.dat 3224 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3224 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/inp.txt 41813 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/log.txt 2607 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/out.total.txt 1742 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/par.txt 2065 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/qsub.sh 2060 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.FF.dat 7562 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.L.dat 1546924 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.M.dat 1508619 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.M2.dat 1767064 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.Nf.dat 7562 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.b_forces.dat 7784 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.b_struct.dat 1508619 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.d2M.dat 7562 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.d2b.dat 7871 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.g.dat 8560 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.g_cnt.dat 8560 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/save.rescale.dat 4216 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/ 282920 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/373K_100.tpr 7896 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/S.dat 7896 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/average_save_states.py 792 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgff-PEO_373K_100.o3806974 0 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/ 0 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/ 5847 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 262482 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/373K_100.1frame.gro 262485 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/373K_100.Emin.gro 2045 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/373K_100.Emin.mdp 202648 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/373K_100.edr 1393 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/373K_100.top 306228 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/373K_100.tpr 280100 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/373K_100.trr 38 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/cgPEO_373K_100_Emin.o3806975 3276 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/grompp.log 82987 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/index.ndx 10387 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/mdout-373K_100.mdp 179930 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/mdrun.log 544 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/mol_types_373K_100.itp 227 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2098 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/table.xvg 58322 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58701 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10091 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/ 7520 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2027 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/373K_100.Equil.mdp 402453 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/373K_100.confout.gro 49460 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/373K_100.edr 1393 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/373K_100.top 306228 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/373K_100.tpr 21423468 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/373K_100.trr 375 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/cgPEO_373K_100_Equil.o3806977 3371 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/grompp.log 82987 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/index.ndx 10370 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/mdout-373K_100.mdp 34781 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/mdrun.log 544 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/mol_types_373K_100.itp 229 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2112 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/run_gmx.sh 461928 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/state.cpt 461928 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/table.xvg 58322 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58701 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58297 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10091 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 10:24 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/ 7648 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 402453 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/373K_100.confout.gro 4821260 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/373K_100.edr 2029 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/373K_100.mdp 1393 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/373K_100.top 306228 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/373K_100.tpr 2100760068 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/373K_100.trr 295658 05-27-2015 10:24 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 10:05 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1311 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/bonds.xvg 895 05-27-2015 10:24 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1907 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 375 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/cgPEO_373K_100_Prodrun.o3807024 6321 05-27-2015 10:24 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026476 25814 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3808502 94019 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/distance.xvg 3448 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/grompp.log 82987 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/index.ndx 10366 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/mdout-373K_100.mdp 1813097 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/mdrun.log 544 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/mol_types_373K_100.itp 231 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:18 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 32146 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 32145 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 32145 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2110 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 461928 01-30-2015 16:00 09.23.14/CGFF/373K_100/iter0_fromquart/cgsim/Prod_run/state.cpt 461928 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16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/par.txt 2064 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/save.L.dat 5113392 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/save.M2.dat 5621638 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/save.b_forces.dat 14126 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:00 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09.23.14/CGFF/373K_25/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14196 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_4thquarter/S.dat 14196 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3100 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:00 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09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_1stquarter/inp.txt 75596 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_1stquarter/log.txt 4557 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_1stquarter/out.total.txt 1823 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_1stquarter/par.txt 2064 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_1stquarter/qsub.sh 2059 01-30-2015 16:00 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_1stquarter/qsub_xv.sh 19 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_1stquarter/save.FF.dat 13775 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_1stquarter/save.L.dat 5112783 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_1stquarter/save.M.dat 5000325 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_1stquarter/save.M2.dat 5605058 01-30-2015 16:01 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08:32 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/ 212480 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/373K_25.tpr 2108 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.CS.dat 3100 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.SS.dat 14196 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/S.dat 14196 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/S_CONST.dat 2108 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3100 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 663638 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/cgff-PEO_373K_25.o3789919 2108 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3100 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.CS.dat 3100 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3100 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/inp.txt 75552 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/log.txt 4557 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/out.total.txt 1823 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/par.txt 2064 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/qsub.sh 2059 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/qsub_xv.sh 19 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.FF.dat 13775 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.L.dat 5111581 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.M.dat 5000325 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.M2.dat 5608832 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.Nf.dat 14100 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.b_forces.dat 14138 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.d2M.dat 14381 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.d2b.dat 14392 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.g.dat 15171 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.g_cnt.dat 15171 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.rescale.dat 6228 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_2ndquarter/summarize_input.txt 0 05-08-2015 08:32 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/ 212480 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/373K_25.tpr 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.SS.dat 14238 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/S.dat 14238 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/S_CONST.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 695126 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/cgff-PEO_373K_25.o3789920 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/inp.txt 75596 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/log.txt 4557 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/out.total.txt 1823 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/par.txt 2064 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/qsub.sh 2059 01-30-2015 16:01 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/qsub_xv.sh 19 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.FF.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.L.dat 5113392 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.M.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.M2.dat 5621638 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.Nf.dat 14118 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.b_forces.dat 14125 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.d2M.dat 14382 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.d2b.dat 14392 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.g.dat 15184 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.g_cnt.dat 15184 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.rescale.dat 6228 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_3rdquarter/summarize_input.txt 0 05-08-2015 08:32 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/ 212480 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/373K_25.tpr 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.CS.dat 3100 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.SS.dat 14196 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/S.dat 14196 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/S_CONST.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3100 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.SS.dat 585302 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/cgff-PEO_373K_25.o3789921 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3100 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.CS.dat 3100 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3100 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 2976 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/inp.txt 75552 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/log.txt 4557 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/out.total.txt 1823 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/par.txt 2064 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/qsub.sh 2059 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/qsub_xv.sh 19 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.FF.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.L.dat 5108793 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.M.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.M2.dat 5575951 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.M_cnt.dat 7 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.Nf.dat 14095 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.b_forces.dat 14131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.d2M.dat 14380 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.d2b.dat 14384 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.g.dat 15179 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.g_cnt.dat 15179 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/save.rescale.dat 6228 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_4thquarter/summarize_input.txt 0 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/ 212480 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/373K_25.tpr 14238 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/S.dat 14238 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/S_CONST.dat 2075 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/average_save_states.py 784 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/cgff-PEO_373K_25.o3798128 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/inp.txt 75816 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/log.txt 2980 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/out.total.txt 1787 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/par.txt 2064 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/qsub.sh 2058 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/qsub_xv.sh 18 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.FF.dat 13050 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.L.dat 4851612 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.M.dat 4737150 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.M2.dat 5342245 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.M_cnt.dat 7 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.Nf.dat 13401 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.b_forces.dat 13400 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.b_struct.dat 4737150 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.d2M.dat 13657 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.d2b.dat 13668 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.g.dat 14454 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.g_cnt.dat 14454 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/save.rescale.dat 6100 01-30-2015 16:02 09.23.14/CGFF/373K_25/iter0_refCoul_oldeps_scale1.2_fromquart/summarize_input.txt 0 01-30-2015 16:02 09.23.14/CGFF/373K_38/ 0 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/ 230744 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/373K_38.tpr 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/S.dat 14280 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 327254 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/cgff-PEO_373K_38.o3789885 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/inp.txt 75640 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/log.txt 4557 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/par.txt 2064 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.L.dat 5107851 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.M2.dat 5649621 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.b_forces.dat 14150 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.d2b.dat 14383 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.g.dat 15278 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.g_cnt.dat 15278 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/ 230744 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/373K_38.tpr 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/S.dat 14280 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/cgff-PEO_373K_38.o3667739 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/inp.txt 75640 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/log.txt 4557 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/par.txt 2064 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.L.dat 5118088 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.M2.dat 5646459 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.b_forces.dat 14137 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.d2b.dat 14388 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.g.dat 15277 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.g_cnt.dat 15277 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/ 230744 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/373K_38.tpr 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14259 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/S.dat 14259 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/cgff-PEO_373K_38.o3667740 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/inp.txt 75618 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/log.txt 4557 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/par.txt 2064 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.L.dat 5114251 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.M2.dat 5648868 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.b_forces.dat 14156 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.d2b.dat 14391 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.g.dat 15280 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.g_cnt.dat 15280 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/ 230744 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/373K_38.tpr 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14238 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/S.dat 14238 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 333494 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/cgff-PEO_373K_38.o3667741 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/inp.txt 75596 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/log.txt 4557 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/par.txt 2064 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.L.dat 5113132 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.M2.dat 5646525 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.b_forces.dat 14147 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.d2b.dat 14386 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.g.dat 15276 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.g_cnt.dat 15276 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/ 230744 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/373K_38.tpr 14280 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/S.dat 14280 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/average_save_states.py 784 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgff-PEO_373K_38.o3798056 0 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/ 0 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/ 6106 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 181081 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/373K_38.1frame.gro 181080 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/373K_38.Emin.gro 2060 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/373K_38.Emin.mdp 195016 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/373K_38.edr 9788 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/373K_38.top 246508 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/373K_38.tpr 193268 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/373K_38.trr 100 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/cgPEO_373K_38_Emin.o3798061 41559 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/grompp.log 64662 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/mdout-373K_38.mdp 155928 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/mdrun.log 10601 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/mol_types_373K_38.itp 226 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2101 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/table.xvg 58396 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58554 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58338 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58347 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58666 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10101 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/ 7375 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/373K_38.Equil.mdp 277632 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/373K_38.confout.gro 56876 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/373K_38.edr 9788 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/373K_38.top 246508 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/373K_38.tpr 14780820 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/373K_38.trr 359 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/cgPEO_373K_38_Equil.o3798065 41707 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/grompp.log 64662 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/mdout-373K_38.mdp 35129 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/mdrun.log 10601 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/mol_types_373K_38.itp 228 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/run_gmx.sh 331824 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/state.cpt 389098 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/table.xvg 58396 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58554 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58338 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58347 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58666 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58297 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10101 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 11:50 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/ 7430 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 277632 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/373K_38.confout.gro 5541476 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/373K_38.edr 2044 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/373K_38.mdp 9788 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/373K_38.top 246508 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/373K_38.tpr 1449389820 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/373K_38.trr 295639 05-27-2015 11:50 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:12 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1330 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/bonds.xvg 894 05-27-2015 11:49 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1894 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 375 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_373K_38_Prodrun.o3798111 6259 05-27-2015 11:50 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026617 46519 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3799360 94019 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/distance.xvg 41699 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/grompp.log 64662 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/index.ndx 10380 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/mdout-373K_38.mdp 1812760 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/mdrun.log 10601 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/mol_types_373K_38.itp 230 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:18 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 31838 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-C.xvg 31836 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-Na.xvg 31836 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-S.xvg 31837 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 31837 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 31836 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2109 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 331824 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/state.cpt 331824 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/table.xvg 58396 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/table_C_C.xvg 58554 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/table_C_Na.xvg 58338 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/table_C_S.xvg 58347 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58666 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58297 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10101 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/ 391 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/copy_forces.sh 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_SNa.dat 3038 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_bond.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/f_zero.dat 1051 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/table.xvg 58396 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/table_C_C.xvg 58554 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/table_C_Na.xvg 58338 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/table_C_S.xvg 58347 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/table_Na_Na.xvg 58666 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/table_S_Na.xvg 58297 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/table_S_S.xvg 10101 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/edit/table_b0.xvg 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_forces.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/inp.txt 75860 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/log.txt 2961 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/out.total.txt 1787 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/par.txt 2064 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/qsub.sh 2058 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/qsub_xv.sh 18 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.FF.dat 13050 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.L.dat 4851817 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.M.dat 4737150 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.M2.dat 5385415 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.M_cnt.dat 7 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.b_forces.dat 13428 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.d2b.dat 13666 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.g.dat 14551 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.g_cnt.dat 14551 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/save.rescale.dat 6100 01-30-2015 16:02 09.23.14/CGFF/373K_38/iter0_fromquart/summarize_input.txt 0 01-30-2015 16:07 09.23.14/CGFF/373K_50/ 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/ 2311 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/373K.mdp 196876 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/373K_50.1frame.gro 9781 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/373K_50.top 247508 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/373K_50.tpr 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/S.dat 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/S_CONST.dat 1971 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/average_save_states.py 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/b_struct.Pair_Interaction.total.SS.dat 622262 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/cgff-PEO_373K_50.o3507447 0 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/ 0 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/ 5777 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/#mdrun.log.1# 196876 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/373K_50.1frame.gro 196875 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/373K_50.Emin.gro 2060 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/373K_50.Emin.mdp 184324 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/373K_50.edr 9787 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/373K_50.top 264672 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/373K_50.tpr 210116 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/373K_50.trr 38 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/cgPEO_373K_50_Emin.o3510047 41592 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/grompp.log 68221 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/index.ndx 248 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/make_bond_index.py 10401 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/mdout-373K_50.mdp 146162 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/mdrun.log 10602 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/mol_types_373K_50.itp 231 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/qsub_cgsim_Emin.sh 226 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/qsub_xv.sh 2097 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/table.xvg 58374 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/table_C_C.xvg 58605 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/table_C_Na.xvg 58331 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/table_C_S.xvg 58347 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/table_Na_Na.xvg 58679 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/table_S_S.xvg 10098 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/ 7426 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/#mdrun.log.1# 2042 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/373K_50.Equil.mdp 301851 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/373K_50.confout.gro 112276 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/373K_50.edr 9787 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/373K_50.top 264672 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/373K_50.tpr 31824292 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/373K_50.trr 375 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/cgPEO_373K_50_Equil.o3510050 41716 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/grompp.log 68221 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/index.ndx 10385 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/mdout-373K_50.mdp 53278 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/mdrun.log 10602 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/mol_types_373K_50.itp 232 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/qsub_cgsim_Equil.sh 228 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/qsub_xv.sh 2111 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/run_gmx.sh 357096 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/state.cpt 357096 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/state_prev.cpt 389098 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/table.xvg 58374 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/table_C_C.xvg 58605 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/table_C_Na.xvg 58331 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/table_C_S.xvg 58347 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/table_Na_Na.xvg 58679 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/table_S_Na.xvg 58297 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/table_S_S.xvg 10098 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Equil/table_b0.xvg 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/ 1330 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/#bonds.xvg.1# 1890020 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/#distance.xvg.1# 301851 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/373K_50.confout.gro 110801476 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/373K_50.edr 2040 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/373K_50.mdp 9787 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/373K_50.top 264672 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/373K_50.tpr --------- ------- 3182131926 862 files ===================================================== Content of ZIP archive 09.23.14-061.zip ===================================================== Archive: 09.23.14-061.zip Length Date Time Name --------- ---------- ----- ---- 31509515092 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/373K_50.trr --------- ------- 31509515092 1 file ===================================================== Content of ZIP archive 09.23.14-062.zip ===================================================== Archive: 09.23.14-062.zip Length Date Time Name --------- ---------- ----- ---- 1330 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/bonds.xvg 1894 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/calc_dist.sh 72497 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/cgPEO_373K_50_Prodrun.o3585474 1890020 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/distance.xvg 68221 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/index.ndx 10376 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/mdout-373K_50.mdp 35919007 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/mdrun.log 10602 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/mol_types_373K_50.itp 234 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/qsub_cgsim_NVT.sh 230 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/qsub_xv.sh 231 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/qsub_xv_calcdist.sh 31925 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/rdf_C-C.xvg 31929 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/rdf_C-Na.xvg 31926 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/rdf_C-S.xvg 31925 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/rdf_Na-Na.xvg 31925 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/rdf_S-Na.xvg 31927 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/rdf_S-S.xvg 2109 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/run_gmx.sh 357096 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/state.cpt 357096 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/state_prev.cpt 0 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/subtraj/ 2101370116 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/subtraj/373K_50_skip10.trr 1330 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/subtraj/bonds.xvg 1910 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/subtraj/calc_dist.sh 189020 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/subtraj/distance.xvg 31924 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/subtraj/rdf_C-C.xvg 31927 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/subtraj/rdf_C-Na.xvg 31926 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/subtraj/rdf_C-S.xvg 31924 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/subtraj/rdf_Na-Na.xvg 31924 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/subtraj/rdf_S-Na.xvg 31925 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/subtraj/rdf_S-S.xvg 389098 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/table.xvg 58374 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/table_C_C.xvg 58605 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/table_C_Na.xvg 58331 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/table_C_S.xvg 58347 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/table_Na_Na.xvg 58679 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/table_S_Na.xvg 58297 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/table_S_S.xvg 10098 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/ 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_bond.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/f_zero.dat 1051 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/table.xvg 58374 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/table_C_C.xvg 58605 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/table_C_Na.xvg 58331 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/table_C_S.xvg 58347 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/table_Na_Na.xvg 58679 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/table_S_Na.xvg 58297 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/table_S_S.xvg 10098 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/edit/table_b0.xvg 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/g_cnt.Pair_Interaction.total.SS.dat 97 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/inp.txt 75630 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/log.txt 10601 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/mol_types_373K_50.itp 4557 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/out.total.txt 1732 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/par.txt 2064 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/qsub.sh 2059 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/qsub_xv.sh 19 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/save.FF.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/save.L.dat 5125301 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/save.M.dat 5000325 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/save.M2.dat 5775136 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/save.M_cnt.dat 8 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/save.Nf.dat 13775 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/save.b_forces.dat 14164 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/save.b_struct.dat 5000325 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/save.d2M.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/save.d2b.dat 14394 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/save.g.dat 15355 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/save.g_cnt.dat 15355 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0/save.rescale.dat 5935 01-30-2015 16:02 09.23.14/CGFF/373K_50/iter0/summarize_input.txt 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/ 2311 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/373K.mdp 196876 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/373K_50.1frame.gro 9781 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/373K_50.top 247508 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/373K_50.tpr 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/S.dat 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/S_CONST.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/b_struct.Pair_Interaction.total.SS.dat 318998 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/cgff-PEO_373K_50.o3587336 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/g_cnt.Pair_Interaction.total.SS.dat 106 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/inp.txt 75638 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/log.txt 10601 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/mol_types_373K_50.itp 4557 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/out.total.txt 1732 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/par.txt 2064 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/qsub.sh 2059 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/qsub_xv.sh 19 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.FF.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.L.dat 5117151 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.M.dat 5000325 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.M2.dat 5663839 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.M_cnt.dat 7 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.Nf.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.b_forces.dat 14150 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.b_struct.dat 5000325 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.d2M.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.d2b.dat 14376 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.g.dat 15357 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.g_cnt.dat 15357 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/save.rescale.dat 5944 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_1stquart/summarize_input.txt 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/ 2311 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/373K.mdp 196876 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/373K_50.1frame.gro 9781 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/373K_50.top 247508 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/373K_50.tpr 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/S.dat 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/S_CONST.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/cgff-PEO_373K_50.o3612698 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/g_cnt.Pair_Interaction.total.SS.dat 106 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/inp.txt 75638 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/log.txt 10601 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/mol_types_373K_50.itp 4557 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/out.total.txt 1732 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/par.txt 2064 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/qsub.sh 2059 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/qsub_xv.sh 19 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.FF.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.L.dat 5121611 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.M.dat 5000325 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.M2.dat 5669733 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.M_cnt.dat 7 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.Nf.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.b_forces.dat 14155 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.b_struct.dat 5000325 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.d2M.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.d2b.dat 14383 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.g.dat 15354 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.g_cnt.dat 15354 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/save.rescale.dat 5944 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_2ndquart/summarize_input.txt 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/ 2311 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/373K.mdp 196876 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/373K_50.1frame.gro 9781 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/373K_50.top 247508 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/373K_50.tpr 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/S.dat 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/S_CONST.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/cgff-PEO_373K_50.o3587338 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/g_cnt.Pair_Interaction.total.SS.dat 106 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/inp.txt 75638 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/log.txt 10601 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/mol_types_373K_50.itp 4557 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/out.total.txt 1732 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/par.txt 2064 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/qsub.sh 2059 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/qsub_xv.sh 19 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.FF.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.L.dat 5116917 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.M.dat 5000325 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.M2.dat 5670425 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.M_cnt.dat 7 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.Nf.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.b_forces.dat 14151 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.b_struct.dat 5000325 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.d2M.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.d2b.dat 14394 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.g.dat 15359 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.g_cnt.dat 15359 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/save.rescale.dat 5944 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_3rdquart/summarize_input.txt 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/ 2311 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/373K.mdp 196876 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/373K_50.1frame.gro 9781 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/373K_50.top 247508 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/373K_50.tpr 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/S.dat 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/S_CONST.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/cgff-PEO_373K_50.o3587339 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/g_cnt.Pair_Interaction.total.SS.dat 106 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/inp.txt 75638 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/log.txt 10601 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/mol_types_373K_50.itp 4557 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/out.total.txt 1732 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/par.txt 2064 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/qsub.sh 2059 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/qsub_xv.sh 19 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.FF.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.L.dat 5123477 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.M.dat 5000325 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.M2.dat 5669752 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.M_cnt.dat 7 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.Nf.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.b_forces.dat 14150 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.b_struct.dat 5000325 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.d2M.dat 13775 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.d2b.dat 14394 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.g.dat 15357 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.g_cnt.dat 15357 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/save.rescale.dat 5944 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_4thquart/summarize_input.txt 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/ 2311 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/373K.mdp 196876 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/373K_50.1frame.gro 9781 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/373K_50.top 247508 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/373K_50.tpr 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/S.dat 14280 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/S_CONST.dat 1971 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/average_save_states.py 784 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgff-PEO_373K_50.o3665111 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/ 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/ 5783 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 196876 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/373K_50.1frame.gro 196875 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/373K_50.Emin.gro 2060 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/373K_50.Emin.mdp 199372 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/373K_50.edr 9787 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/373K_50.top 264672 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/373K_50.tpr 210116 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/373K_50.trr 38 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/cgPEO_373K_50_Emin.o3665116 41575 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/grompp.log 68221 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/index.ndx 248 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/make_bond_index.py 10401 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/mdout-373K_50.mdp 157330 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/mdrun.log 10602 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/mol_types_373K_50.itp 231 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 226 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/qsub_xv.sh 2097 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/table.xvg 58377 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58588 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58334 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58364 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58673 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10099 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/ 7522 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2043 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/373K_50.Equil.mdp 301851 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/373K_50.confout.gro 56876 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/373K_50.edr 9787 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/373K_50.top 264672 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/373K_50.tpr 16069692 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/373K_50.trr 375 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/cgPEO_373K_50_Equil.o3665937 41692 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/grompp.log 68221 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/mdout-373K_50.mdp 35383 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/mdrun.log 10602 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/mol_types_373K_50.itp 232 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 228 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/qsub_xv.sh 2111 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/run_gmx.sh 357096 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/state.cpt 357096 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/table.xvg 58377 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58588 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58334 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58364 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58673 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58297 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10099 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 10:29 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/ 7556 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 301851 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/373K_50.confout.gro 5541476 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/373K_50.edr 2042 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/373K_50.mdp 9787 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/373K_50.top 264672 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/373K_50.tpr 1575775092 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/373K_50.trr 295640 05-27-2015 10:29 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:10 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1330 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/bonds.xvg 894 05-27-2015 10:28 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1894 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 375 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/cgPEO_373K_50_Prodrun.o3665977 6271 05-27-2015 10:29 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026480 46375 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3799361 94019 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/distance.xvg 41705 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/grompp.log 68221 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/index.ndx 10380 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/mdout-373K_50.mdp 1813120 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/mdrun.log 10602 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/mol_types_373K_50.itp 234 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 230 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/qsub_xv.sh 220 05-27-2015 07:18 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 31926 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/rdf_C-C.xvg 31924 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/rdf_C-Na.xvg 31925 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/rdf_C-S.xvg 31925 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 31925 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 31924 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2109 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 357096 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/state.cpt 357096 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/table.xvg 58377 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/table_C_C.xvg 58588 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/table_C_Na.xvg 58334 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/table_C_S.xvg 58364 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58673 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58297 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10099 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/ 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_bond.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/f_zero.dat 1051 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/table.xvg 58377 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/table_C_C.xvg 58588 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/table_C_Na.xvg 58334 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/table_C_S.xvg 58364 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/table_Na_Na.xvg 58673 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/table_S_Na.xvg 58297 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/table_S_S.xvg 10099 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/edit/table_b0.xvg 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_forces.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/inp.txt 75860 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/log.txt 10601 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/mol_types_373K_50.itp 2961 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/out.total.txt 1787 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/par.txt 2064 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/qsub.sh 2058 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/qsub_xv.sh 18 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.FF.dat 13050 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.L.dat 4862458 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.M.dat 4737150 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.M2.dat 5406207 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.M_cnt.dat 6 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.b_forces.dat 13437 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.d2b.dat 13669 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.g.dat 14629 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.g_cnt.dat 14629 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/save.rescale.dat 6100 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_fromquart/summarize_input.txt 0 05-08-2015 08:57 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/ 2311 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/373K.mdp 196876 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/373K_50.1frame.gro 9781 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/373K_50.top 247508 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/373K_50.tpr 2108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/S.dat 14280 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/S_CONST.dat 2108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.SS.dat 620054 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/cgff-PEO_373K_50.o3798139 2108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/inp.txt 75640 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/log.txt 10601 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/mol_types_373K_50.itp 4557 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/out.total.txt 1823 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/par.txt 2064 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/qsub.sh 2059 01-30-2015 16:05 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/qsub_xv.sh 19 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.FF.dat 13775 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.L.dat 5117151 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.M.dat 5000325 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.M2.dat 5663839 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.M_cnt.dat 7 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.Nf.dat 14144 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.b_forces.dat 14152 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.d2M.dat 14382 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.d2b.dat 14376 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.g.dat 15357 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.g_cnt.dat 15357 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/save.rescale.dat 6228 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_1stquarter/summarize_input.txt 0 05-08-2015 08:58 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/ 2311 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/373K.mdp 196876 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/373K_50.1frame.gro 9781 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/373K_50.top 247508 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/373K_50.tpr 2108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/S.dat 14280 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/S_CONST.dat 2108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/cgff-PEO_373K_50.o3798140 2108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/inp.txt 75640 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/log.txt 10601 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/mol_types_373K_50.itp 4557 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/out.total.txt 1823 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/par.txt 2064 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/qsub.sh 2059 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/qsub_xv.sh 19 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.FF.dat 13775 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.L.dat 5121611 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.M.dat 5000325 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.M2.dat 5669733 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.Nf.dat 14129 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.b_forces.dat 14151 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.d2M.dat 14381 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.d2b.dat 14383 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.g.dat 15354 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.g_cnt.dat 15354 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.rescale.dat 6228 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_2ndquarter/summarize_input.txt 0 05-08-2015 08:58 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/ 2311 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/373K.mdp 196876 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/373K_50.1frame.gro 9781 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/373K_50.top 247508 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/373K_50.tpr 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/S.dat 14280 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/S_CONST.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/cgff-PEO_373K_50.o3798141 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/inp.txt 75640 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/log.txt 10601 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/mol_types_373K_50.itp 4557 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/out.total.txt 1823 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/par.txt 2064 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/qsub.sh 2059 01-30-2015 16:06 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/qsub_xv.sh 19 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.FF.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.L.dat 5116917 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.M.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.M2.dat 5670425 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.Nf.dat 14129 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.b_forces.dat 14137 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.d2M.dat 14381 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.d2b.dat 14394 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.g.dat 15359 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.g_cnt.dat 15359 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.rescale.dat 6228 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_3rdquarter/summarize_input.txt 0 05-08-2015 08:58 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/ 2311 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/373K.mdp 196876 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/373K_50.1frame.gro 9781 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/373K_50.top 247508 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/373K_50.tpr 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/S.dat 14280 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/S_CONST.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/cgff-PEO_373K_50.o3798142 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/inp.txt 75640 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/log.txt 10601 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/mol_types_373K_50.itp 4557 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/out.total.txt 1823 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/par.txt 2064 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/qsub.sh 2059 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/qsub_xv.sh 19 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.FF.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.L.dat 5123477 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.M.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.M2.dat 5669752 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.M_cnt.dat 7 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.Nf.dat 14135 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.b_forces.dat 14149 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.d2M.dat 14381 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.d2b.dat 14394 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.g.dat 15357 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.g_cnt.dat 15357 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/save.rescale.dat 6228 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_4thquarter/summarize_input.txt 0 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/ 2311 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/373K.mdp 196876 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/373K_50.1frame.gro 9781 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/373K_50.top 247508 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/373K_50.tpr 14280 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/S.dat 14280 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/S_CONST.dat 2075 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/average_save_states.py 784 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/cgff-PEO_373K_50.o3807002 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/inp.txt 75860 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/log.txt 10601 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/mol_types_373K_50.itp 2989 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/out.total.txt 1787 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/par.txt 2064 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/qsub.sh 2058 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/qsub_xv.sh 18 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.FF.dat 13050 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.L.dat 4862458 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.M.dat 4737150 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.M2.dat 5406207 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.M_cnt.dat 6 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.Nf.dat 13410 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.b_forces.dat 13424 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.b_struct.dat 4737150 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.d2M.dat 13657 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.d2b.dat 13669 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.g.dat 14629 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.g_cnt.dat 14629 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/save.rescale.dat 6100 01-30-2015 16:07 09.23.14/CGFF/373K_50/iter0_refCoul_oldeps_scale1.2_fromquart/summarize_input.txt 0 01-30-2015 16:07 09.23.14/CGFF/373K_63/ 0 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/ 265772 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/373K_63.tpr 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/S.dat 14301 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 327062 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/cgff-PEO_373K_63.o3667775 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/inp.txt 75662 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/log.txt 4557 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/par.txt 2064 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.L.dat 5123325 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.M2.dat 5678204 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.b_forces.dat 14141 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.d2b.dat 14392 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.g.dat 15371 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.g_cnt.dat 15371 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/ 265772 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/373K_63.tpr 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/S.dat 14301 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/cgff-PEO_373K_63.o3667776 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/inp.txt 75662 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/log.txt 4557 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/par.txt 2064 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.L.dat 5121294 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.M2.dat 5681278 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.b_forces.dat 14148 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.d2b.dat 14392 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.g.dat 15379 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.g_cnt.dat 15379 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/ 265772 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/373K_63.tpr 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/S.dat 14301 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/cgff-PEO_373K_63.o3667777 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/inp.txt 75662 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/log.txt 4557 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/par.txt 2064 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.L.dat 5127958 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.M2.dat 5681418 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.b_forces.dat 14133 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.d2b.dat 14400 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.g.dat 15381 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.g_cnt.dat 15381 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/ 265772 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/373K_63.tpr 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/S.dat 14322 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 333302 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/cgff-PEO_373K_63.o3667778 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/inp.txt 75684 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/log.txt 4557 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/par.txt 2064 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.L.dat 5122289 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.M2.dat 5682690 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.b_forces.dat 14136 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.d2b.dat 14391 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.g.dat 15387 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.g_cnt.dat 15387 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/ 265772 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/373K_63.tpr 14301 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/S.dat 14301 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/average_save_states.py 784 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/cgff-PEO_373K_63.o3789955 0 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/ 0 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Emin/ 5802 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 213886 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Emin/373K_63.1frame.gro 213885 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Emin/373K_63.Emin.gro 2060 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Emin/373K_63.Emin.mdp 217192 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Emin/373K_63.edr 9791 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Emin/373K_63.top 284452 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Emin/373K_63.tpr 228260 01-30-2015 16:07 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09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 327933 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Prod_run/373K_63.confout.gro 5541476 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Prod_run/373K_63.edr 2044 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Prod_run/373K_63.mdp 9791 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Prod_run/373K_63.top 284452 01-30-2015 16:07 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Prod_run/373K_63.tpr --------- ------- 4103533809 1135 files ===================================================== Content of ZIP archive 09.23.14-063.zip ===================================================== Archive: 09.23.14-063.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Prod_run/373K_63.trr 295655 05-27-2015 10:26 09.23.14/CGFF/373K_63/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:09 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09.23.14/CGFF/373K_63/iter0_fromquart/qsub.sh 2058 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/qsub_xv.sh 18 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/save.FF.dat 13050 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/save.L.dat 4866459 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/save.M.dat 4737150 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/save.M2.dat 5418428 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/save.M_cnt.dat 7 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/save.b_forces.dat 13416 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/save.d2b.dat 13669 01-30-2015 16:08 09.23.14/CGFF/373K_63/iter0_fromquart/save.g.dat 14652 01-30-2015 16:08 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16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.L.dat 5128651 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.M2.dat 5672902 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.b_forces.dat 14154 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.d2b.dat 14394 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.g.dat 15382 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.g_cnt.dat 15382 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/ 282464 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/373K_75.tpr 2077 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/S.dat 14280 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/S_CONST.dat 2077 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/cgff-PEO_373K_75.o3667801 2077 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/inp.txt 75640 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/log.txt 4557 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/par.txt 2064 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.L.dat 5121698 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.M2.dat 5674654 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.b_forces.dat 14149 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.d2b.dat 14392 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.g.dat 15379 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.g_cnt.dat 15379 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/ 282464 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/373K_75.tpr 2108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14343 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/S.dat 14343 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 334070 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/cgff-PEO_373K_75.o3789894 2108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/inp.txt 75706 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/log.txt 4557 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/par.txt 2064 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/save.L.dat 5114858 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_4thquarter/save.M2.dat 5676043 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09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58319 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58342 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58688 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58299 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10097 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/ 7518 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/373K_75.Equil.mdp 352152 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/373K_75.confout.gro 56876 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/373K_75.edr 9786 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/373K_75.top 302548 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/373K_75.tpr 18746580 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/373K_75.trr 375 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/cgPEO_373K_75_Equil.o3798073 41680 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/grompp.log 75606 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/mdout-373K_75.mdp 35447 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/mdrun.log 10603 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/mol_types_373K_75.itp 228 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/run_gmx.sh 409584 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/state.cpt 409584 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/table.xvg 58386 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58616 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58319 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58342 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58688 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58299 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10097 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 10:26 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/ 302548 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/#373K_75.tpr.1# 7425 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 352152 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/373K_75.confout.gro 5541476 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/373K_75.edr 2044 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/373K_75.mdp 9786 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/373K_75.top 302548 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/373K_75.tpr 1838267580 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/373K_75.trr 295655 05-27-2015 10:26 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:06 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1330 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/bonds.xvg 894 05-27-2015 10:25 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1894 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 375 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_373K_75_Prodrun.o3799363 6282 05-27-2015 10:26 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026478 46502 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3804375 94019 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/distance.xvg 41767 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/grompp.log 75606 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/index.ndx 10380 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/mdout-373K_75.mdp 1813075 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/mdrun.log 10603 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/mol_types_373K_75.itp 230 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:18 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 32032 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/rdf_C-C.xvg 32035 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/rdf_C-Na.xvg 32034 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/rdf_C-S.xvg 32035 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 32035 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 32036 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2109 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 409584 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/state.cpt 409584 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/table.xvg 58386 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/table_C_C.xvg 58616 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/table_C_Na.xvg 58319 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/table_C_S.xvg 58342 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58688 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58299 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10097 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/ 391 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/copy_forces.sh 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_CNa.dat 3131 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_CS.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_SNa.dat 3038 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_SS.dat 2108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_bond.dat 2108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/f_zero.dat 1051 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/table.xvg 58386 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/table_C_C.xvg 58616 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/table_C_Na.xvg 58319 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/table_C_S.xvg 58342 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/table_Na_Na.xvg 58688 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/table_S_Na.xvg 58299 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/table_S_S.xvg 10097 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/edit/table_b0.xvg 2108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/inp.txt 75904 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/log.txt 2961 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/out.total.txt 1787 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/par.txt 2064 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/qsub.sh 2058 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/qsub_xv.sh 18 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.FF.dat 13050 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.L.dat 4865765 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.M.dat 4737150 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.M2.dat 5412074 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.M_cnt.dat 7 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.b_forces.dat 13429 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.d2b.dat 13667 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.g.dat 14659 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.g_cnt.dat 14659 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/save.rescale.dat 6100 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_fromquart/summarize_input.txt 0 05-08-2015 08:58 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/ 282464 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/373K_75.tpr 2108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/L.Pair_Interaction.total.SS.dat 14343 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/S.dat 14343 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/S_CONST.dat 2108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/cgff-PEO_373K_75.o3789927 2108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/inp.txt 75706 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/log.txt 4557 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/out.total.txt 1823 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/par.txt 2064 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/qsub.sh 2059 01-30-2015 16:08 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/qsub_xv.sh 19 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.FF.dat 13775 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.L.dat 5129094 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.M.dat 5000325 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.M2.dat 5672330 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.M_cnt.dat 7 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.Nf.dat 14147 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.b_forces.dat 14139 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.d2M.dat 14382 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.d2b.dat 14380 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.g.dat 15378 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.g_cnt.dat 15378 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/save.rescale.dat 6228 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_1stquarter/summarize_input.txt 0 05-08-2015 08:58 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/ 282464 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/373K_75.tpr 2108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/S.dat 14280 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/S_CONST.dat 2108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/cgff-PEO_373K_75.o3789928 2108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/inp.txt 75640 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/log.txt 4557 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/out.total.txt 1823 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/par.txt 2064 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/qsub.sh 2059 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/qsub_xv.sh 19 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.FF.dat 13775 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.L.dat 5128651 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.M.dat 5000325 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.M2.dat 5672902 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.Nf.dat 14144 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.b_forces.dat 14142 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.d2M.dat 14382 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.d2b.dat 14394 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.g.dat 15382 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.g_cnt.dat 15382 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/save.rescale.dat 6228 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_2ndquarter/summarize_input.txt 0 05-08-2015 08:58 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/ 282464 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/373K_75.tpr 2077 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/S.dat 14280 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/S_CONST.dat 2077 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/cgff-PEO_373K_75.o3789929 2077 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/inp.txt 75640 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/log.txt 4557 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/out.total.txt 1823 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/par.txt 2064 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/qsub.sh 2059 01-30-2015 16:09 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/qsub_xv.sh 19 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.FF.dat 13775 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.L.dat 5121698 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.M.dat 5000325 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.M2.dat 5674654 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.Nf.dat 14156 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.b_forces.dat 14146 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.d2M.dat 14381 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.d2b.dat 14392 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.g.dat 15379 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.g_cnt.dat 15379 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/save.rescale.dat 6228 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_3rdquarter/summarize_input.txt 0 05-08-2015 08:58 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/ 282464 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/373K_75.tpr 2108 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/L.Pair_Interaction.total.SS.dat 14343 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/S.dat 14343 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/S_CONST.dat 2108 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/b_struct.Pair_Interaction.total.SS.dat 650198 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/cgff-PEO_373K_75.o3789930 2108 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/inp.txt 75706 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/log.txt 4557 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/out.total.txt 1823 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/par.txt 2064 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/qsub.sh 2059 01-30-2015 16:10 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/qsub_xv.sh 19 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.FF.dat 13775 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.L.dat 5114858 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.M.dat 5000325 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.M2.dat 5676043 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.M_cnt.dat 7 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.Nf.dat 14147 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.b_forces.dat 14148 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.d2M.dat 14382 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.d2b.dat 14391 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.g.dat 15388 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.g_cnt.dat 15388 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/save.rescale.dat 6228 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_4thquarter/summarize_input.txt 0 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/ 282464 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/373K_75.tpr 14322 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/S.dat 14322 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/S_CONST.dat 2075 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/average_save_states.py 1051 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/cgff-PEO_373K_75.o3799379 2108 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/inp.txt 75904 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/log.txt 2993 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/out.total.txt 1787 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/par.txt 2064 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/qsub.sh 2058 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/qsub_xv.sh 18 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.FF.dat 13050 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.L.dat 4865765 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.M.dat 4737150 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.M2.dat 5412074 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.M_cnt.dat 7 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.Nf.dat 13427 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.b_forces.dat 13424 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.b_struct.dat 4737150 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.d2M.dat 13657 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.d2b.dat 13667 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.g.dat 14659 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.g_cnt.dat 14659 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/save.rescale.dat 6100 01-30-2015 16:11 09.23.14/CGFF/373K_75/iter0_refCoul_oldeps_scale1.2_fromquart/summarize_input.txt 0 01-30-2015 16:11 09.23.14/CGFF/373K_83/ 0 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/ 293972 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/373K_83.tpr 2077 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/S.dat 14322 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/S_CONST.dat 2077 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 327254 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/cgff-PEO_373K_83.o3789895 2077 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/inp.txt 75684 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/log.txt 4557 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/par.txt 2064 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.L.dat 5115448 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.M2.dat 5655665 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.b_forces.dat 14175 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.d2b.dat 14364 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.g.dat 15333 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.g_cnt.dat 15333 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/ 293972 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/373K_83.tpr 2046 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/S.dat 14280 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/S_CONST.dat 2046 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/cgff-PEO_373K_83.o3667808 2046 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2046 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2046 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/inp.txt 75640 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/log.txt 4557 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/par.txt 2064 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.L.dat 5116349 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.M2.dat 5657848 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.b_forces.dat 14162 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.d2b.dat 14378 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.g.dat 15341 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.g_cnt.dat 15341 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/ 293972 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/373K_83.tpr 2077 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/S.dat 14322 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/S_CONST.dat 2077 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/cgff-PEO_373K_83.o3667809 2077 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/inp.txt 75684 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/log.txt 4557 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/par.txt 2064 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 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09.23.14/CGFF/373K_83/iter0_fromquart/cgsim/Prod_run/table_C_Na.xvg 58383 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/cgsim/Prod_run/table_C_S.xvg 58332 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58690 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58297 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10099 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/ 391 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/copy_forces.sh 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_SS.dat 2108 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_bond.dat 2108 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/f_zero.dat 1051 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/table.xvg 58474 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/table_C_C.xvg 58490 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/table_C_Na.xvg 58383 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/table_C_S.xvg 58332 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/table_Na_Na.xvg 58690 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/table_S_Na.xvg 58297 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/table_S_S.xvg 10099 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/edit/table_b0.xvg 2108 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/inp.txt 75926 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/log.txt 2961 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/out.total.txt 1787 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/par.txt 2064 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/qsub.sh 2058 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/qsub_xv.sh 18 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.FF.dat 13050 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.L.dat 4853994 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.M.dat 4737150 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.M2.dat 5373776 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.M_cnt.dat 6 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.b_forces.dat 13442 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.d2b.dat 13646 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.g.dat 14525 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.g_cnt.dat 14525 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/save.rescale.dat 6100 01-30-2015 16:11 09.23.14/CGFF/373K_83/iter0_fromquart/summarize_input.txt 0 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/ 0 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/ 212480 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/398K_25.tpr 230744 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/398K_38.tpr 247508 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/398K_50.tpr 265772 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/398K_63.tpr 282464 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/398K_75.tpr 293972 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/398K_83.tpr 282920 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/423K_100.tpr 212480 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/423K_25.tpr 230744 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/423K_38.tpr 247508 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/423K_50.tpr 265772 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/423K_63.tpr 282464 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/423K_75.tpr 293972 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/423K_83.tpr 14322 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/S.dat 14322 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/S_CONST.dat 2135 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/average_save_states.py 9436 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgff-PEO_398K-423K_refxn_refCoul.o4030102 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/ 0 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/ 0 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/ 6112 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/#mdrun.log.1# 262486 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/343K_100.1frame.gro 262485 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/343K_100.Emin.gro 2102 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/343K_100.Emin.mdp 185248 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/343K_100.edr 1391 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/343K_100.top 306228 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/343K_100.tpr 280100 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/343K_100.trr 104 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/cgPEO_343K_100_Emin.o4030132 3259 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/grompp.log 82987 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/index.ndx 10387 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/mdout-343K_100.mdp 167287 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/mdrun.log 544 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/mol_types_343K_100.itp 232 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/qsub_cgsim_Emin.sh 2102 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/run_gmx.sh 389098 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/table.xvg 58365 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/table_C_C.xvg 58605 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/table_C_Na.xvg 58328 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/table_C_S.xvg 58319 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/table_Na_Na.xvg 58693 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/table_S_Na.xvg 58297 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/table_S_S.xvg 10100 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Emin/table_b0.xvg 0 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/ 7387 05-31-2015 21:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/#mdrun.log.1# 2087 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/343K_100.Equil.mdp 402453 05-31-2015 21:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/343K_100.confout.gro 49460 05-31-2015 21:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/343K_100.edr 1391 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/343K_100.top 306228 05-31-2015 21:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/343K_100.tpr 21423468 05-31-2015 21:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/343K_100.trr 375 05-31-2015 21:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/cgPEO_343K_100_Equil.o4030153 3355 05-31-2015 21:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/grompp.log 82987 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/index.ndx 10371 05-31-2015 21:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/mdout-343K_100.mdp 34655 05-31-2015 21:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/mdrun.log 544 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/mol_types_343K_100.itp 234 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/qsub_cgsim_Equil.sh 2112 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/run_gmx.sh 461928 05-31-2015 21:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/state.cpt 461928 05-31-2015 21:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/state_prev.cpt 389098 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/table.xvg 58365 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/table_C_C.xvg 58605 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/table_C_Na.xvg 58328 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/table_C_S.xvg 58319 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/table_Na_Na.xvg 58693 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/table_S_Na.xvg 58297 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/table_S_S.xvg 10100 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Equil/table_b0.xvg 0 06-01-2015 15:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/ 7488 06-01-2015 13:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/#mdrun.log.1# 402453 06-01-2015 13:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/343K_100.confout.gro 4821260 06-01-2015 13:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/343K_100.edr 2091 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/343K_100.mdp 1391 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/343K_100.top 306228 06-01-2015 09:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/343K_100.tpr 2100760068 06-01-2015 13:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/343K_100.trr 295636 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/Rg.xvg 14784 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/Rg_index.ndx 1311 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/bonds.xvg 895 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/calc_Rg.sh 1907 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/calc_dist.sh 371 06-01-2015 09:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/cgPEO_343K_100_Prodrun.o4031298 6292 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/cgPEO_calcRg.o4032328 25788 06-01-2015 15:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/cgPEO_calcdist.o4032327 94019 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/distance.xvg 3397 06-01-2015 09:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/grompp.log 82987 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/index.ndx 10367 06-01-2015 09:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/mdout-343K_100.mdp 1812670 06-01-2015 13:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/mdrun.log 544 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/mol_types_343K_100.itp 236 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/qsub_xv_calcdist.sh 31991 06-01-2015 15:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/rdf_Na-Na.xvg 31989 06-01-2015 15:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/rdf_S-Na.xvg 31993 06-01-2015 14:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/rdf_S-S.xvg 2110 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/run_gmx.sh 461928 06-01-2015 13:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/state.cpt 461928 06-01-2015 13:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/state_prev.cpt 389098 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/table.xvg 58365 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/table_C_C.xvg 58605 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/table_C_S.xvg 58319 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/table_S_S.xvg 10100 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_100/Prod_run/table_b0.xvg 0 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/ 0 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/ 5779 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/#mdrun.log.1# 164067 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/343K_25.1frame.gro 164070 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/343K_25.Emin.gro 2117 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/343K_25.Emin.mdp 77800 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/343K_25.edr 9785 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/343K_25.top 226728 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/343K_25.tpr 175124 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/343K_25.trr 38 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/cgPEO_343K_25_Emin.o4030138 41598 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/grompp.log 60831 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/index.ndx 10401 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/mdout-343K_25.mdp 67733 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/mdrun.log 10601 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/mol_types_343K_25.itp 231 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/run_gmx.sh 389098 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/table.xvg 58365 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/table_C_C.xvg 58605 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/table_C_Na.xvg 58328 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/table_C_S.xvg 58319 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/table_Na_Na.xvg 58693 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/table_S_Na.xvg 58297 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/table_S_S.xvg 10100 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Emin/table_b0.xvg 0 06-01-2015 04:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/ 7406 05-31-2015 22:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/#mdrun.log.1# 2103 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/343K_25.Equil.mdp 251550 05-31-2015 22:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/343K_25.confout.gro 56876 05-31-2015 22:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/343K_25.edr 9785 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/343K_25.top 226728 05-31-2015 22:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/343K_25.tpr 13392804 05-31-2015 22:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/343K_25.trr 375 05-31-2015 22:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/cgPEO_343K_25_Equil.o4030169 41746 05-31-2015 22:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/grompp.log 60831 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/index.ndx 10385 05-31-2015 22:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/mdout-343K_25.mdp 35204 05-31-2015 22:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/mdrun.log 10601 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/mol_types_343K_25.itp 233 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/run_gmx.sh 304608 05-31-2015 22:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/state.cpt 389098 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/table.xvg 58365 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/table_C_C.xvg 58605 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/table_C_Na.xvg 58328 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/table_C_S.xvg 58319 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/table_Na_Na.xvg 58693 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/table_S_Na.xvg 58297 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/table_S_S.xvg 10100 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Equil/table_b0.xvg 0 06-10-2015 05:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/ 7557 06-01-2015 13:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/#mdrun.log.1# 251550 06-01-2015 13:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/343K_25.confout.gro 5541476 06-01-2015 13:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/343K_25.edr 2106 05-31-2015 10:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/343K_25.mdp 9785 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/343K_25.top 226728 06-01-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/343K_25.tpr --------- ------- 4113815881 264 files ===================================================== Content of ZIP archive 09.23.14-065.zip ===================================================== Archive: 09.23.14-065.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 06-01-2015 13:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/343K_25.trr 295664 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/Rg.xvg 14784 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/Rg_index.ndx 1330 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/bonds.xvg 894 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/calc_Rg.sh 1894 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/calc_dist.sh 369 06-01-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/cgPEO_343K_25_Prodrun.o4031304 6295 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/cgPEO_calcRg.o4032345 46360 06-01-2015 15:00 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/cgPEO_calcdist.o4032344 94019 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/distance.xvg 41707 06-01-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/grompp.log 60831 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/index.ndx 10381 06-01-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/mdout-343K_25.mdp 1812937 06-01-2015 13:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/mdrun.log 10601 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/mol_types_343K_25.itp 235 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/qsub_xv_calcdist.sh 31573 06-01-2015 14:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/rdf_C-C.xvg 31573 06-01-2015 14:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/rdf_C-Na.xvg 31572 06-01-2015 14:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/rdf_C-S.xvg 31571 06-01-2015 15:00 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/rdf_Na-Na.xvg 31570 06-01-2015 14:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/rdf_S-Na.xvg 31571 06-01-2015 14:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/run_gmx.sh 304608 06-01-2015 13:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/state.cpt 304608 06-01-2015 13:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/state_prev.cpt 389098 06-01-2015 04:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/table.xvg 58365 06-01-2015 04:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/table_C_C.xvg 58605 06-01-2015 04:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/table_C_S.xvg 58319 06-01-2015 04:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/table_S_S.xvg 10100 06-01-2015 04:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_25/Prod_run/table_b0.xvg 0 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/ 0 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/ 6104 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/#mdrun.log.1# 181081 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/343K_38.1frame.gro 181080 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/343K_38.Emin.gro 2117 05-31-2015 10:56 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/343K_38.Emin.mdp 225904 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/343K_38.edr 9789 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/343K_38.top 246508 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/343K_38.tpr 193268 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/343K_38.trr 104 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/cgPEO_343K_38_Emin.o4030137 41608 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/grompp.log 64662 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/index.ndx 10401 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/mdout-343K_38.mdp 178759 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/mdrun.log 10601 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/mol_types_343K_38.itp 231 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/qsub_cgsim_Emin.sh 2101 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/run_gmx.sh 389098 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/table.xvg 58365 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/table_C_C.xvg 58605 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/table_C_Na.xvg 58328 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/table_C_S.xvg 58319 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/table_Na_Na.xvg 58693 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/table_S_Na.xvg 58297 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/table_S_S.xvg 10100 05-31-2015 10:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Emin/table_b0.xvg 0 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/ 7428 05-31-2015 22:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/#mdrun.log.1# 2103 05-31-2015 10:56 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/343K_38.Equil.mdp 277632 05-31-2015 22:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/343K_38.confout.gro 56876 05-31-2015 22:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/343K_38.edr 9789 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/343K_38.top 246508 05-31-2015 22:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/343K_38.tpr 14780820 05-31-2015 22:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/343K_38.trr 375 05-31-2015 22:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/cgPEO_343K_38_Equil.o4030168 41721 05-31-2015 22:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/grompp.log 64662 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/index.ndx 10385 05-31-2015 22:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/mdout-343K_38.mdp 35207 05-31-2015 22:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/mdrun.log 10601 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/mol_types_343K_38.itp 233 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/run_gmx.sh 331824 05-31-2015 22:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/state.cpt 389098 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/table.xvg 58365 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/table_C_C.xvg 58605 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/table_C_Na.xvg 58328 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/table_C_S.xvg 58319 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/table_Na_Na.xvg 58693 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/table_S_Na.xvg 58297 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/table_S_S.xvg 10100 05-31-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Equil/table_b0.xvg 0 06-10-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/ 7531 06-01-2015 13:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/#mdrun.log.1# 277632 06-01-2015 13:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/343K_38.confout.gro 5541476 06-01-2015 13:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/343K_38.edr 2106 05-31-2015 10:56 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/343K_38.mdp 9789 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/343K_38.top 246508 06-01-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/343K_38.tpr 1449389820 06-01-2015 13:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/343K_38.trr 295625 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/Rg.xvg 14784 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/Rg_index.ndx 1330 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/bonds.xvg 894 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/calc_Rg.sh 1894 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/calc_dist.sh 375 06-01-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/cgPEO_343K_38_Prodrun.o4031303 6255 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/cgPEO_calcRg.o4032342 46479 06-01-2015 15:04 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/cgPEO_calcdist.o4032341 94019 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/distance.xvg 41706 06-01-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/grompp.log 64662 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/index.ndx 10381 06-01-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/mdout-343K_38.mdp 1812998 06-01-2015 13:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/mdrun.log 10601 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/mol_types_343K_38.itp 235 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/qsub_xv_calcdist.sh 31639 06-01-2015 14:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/rdf_C-C.xvg 31639 06-01-2015 14:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/rdf_C-Na.xvg 31639 06-01-2015 14:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/rdf_C-S.xvg 31636 06-01-2015 15:04 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/rdf_Na-Na.xvg 31636 06-01-2015 15:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/rdf_S-Na.xvg 31639 06-01-2015 14:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/run_gmx.sh 331824 06-01-2015 13:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/state.cpt 331824 06-01-2015 13:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/state_prev.cpt 389098 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/table.xvg 58365 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/table_C_C.xvg 58605 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/table_C_S.xvg 58319 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/table_S_S.xvg 10100 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_38/Prod_run/table_b0.xvg 0 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/ 0 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/ 5786 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/#mdrun.log.1# 196872 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/343K_50.1frame.gro 196875 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/343K_50.Emin.gro 2117 05-31-2015 10:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/343K_50.Emin.mdp 117004 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/343K_50.edr 9793 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/343K_50.top 264676 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/343K_50.tpr 210116 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/343K_50.trr 38 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/cgPEO_343K_50_Emin.o4030136 41606 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/grompp.log 68220 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/index.ndx 10401 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/mdout-343K_50.mdp 96686 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/mdrun.log 10604 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/mol_types_343K_50.itp 231 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/run_gmx.sh 389098 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/table.xvg 58365 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/table_C_C.xvg 58605 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/table_C_Na.xvg 58328 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/table_C_S.xvg 58319 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/table_Na_Na.xvg 58693 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/table_S_Na.xvg 58297 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/table_S_S.xvg 10100 05-31-2015 10:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Emin/table_b0.xvg 0 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/ 7402 05-31-2015 22:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/#mdrun.log.1# 2103 05-31-2015 10:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/343K_50.Equil.mdp 301851 05-31-2015 22:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/343K_50.confout.gro 56876 05-31-2015 22:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/343K_50.edr 9793 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/343K_50.top 264676 05-31-2015 22:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/343K_50.tpr 16069692 05-31-2015 22:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/343K_50.trr 375 05-31-2015 22:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/cgPEO_343K_50_Equil.o4030167 41668 05-31-2015 22:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/grompp.log 68220 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/index.ndx 10385 05-31-2015 22:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/mdout-343K_50.mdp 35267 05-31-2015 22:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/mdrun.log 10604 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/mol_types_343K_50.itp 233 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/run_gmx.sh 357096 05-31-2015 22:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/state.cpt 357096 05-31-2015 22:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/state_prev.cpt 389098 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/table.xvg 58365 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/table_C_C.xvg 58605 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/table_C_Na.xvg 58328 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/table_C_S.xvg 58319 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/table_Na_Na.xvg 58693 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/table_S_Na.xvg 58297 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/table_S_S.xvg 10100 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Equil/table_b0.xvg 0 06-10-2015 05:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/ 7522 06-01-2015 13:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/#mdrun.log.1# 301851 06-01-2015 13:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/343K_50.confout.gro 5541476 06-01-2015 13:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/343K_50.edr 2106 05-31-2015 10:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/343K_50.mdp 9793 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/343K_50.top 264676 06-01-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/343K_50.tpr 1575775092 06-01-2015 13:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/343K_50.trr 295640 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/Rg.xvg 14784 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/Rg_index.ndx 1330 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/bonds.xvg 894 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/calc_Rg.sh 1894 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/calc_dist.sh 375 06-01-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/cgPEO_343K_50_Prodrun.o4031302 6265 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/cgPEO_calcRg.o4032339 46440 06-01-2015 15:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/cgPEO_calcdist.o4032338 94019 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/distance.xvg 41725 06-01-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/grompp.log 68220 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/index.ndx 10381 06-01-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/mdout-343K_50.mdp 1813126 06-01-2015 13:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/mdrun.log 10604 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/mol_types_343K_50.itp 235 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/qsub_xv_calcdist.sh 31725 06-01-2015 14:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/rdf_C-C.xvg 31729 06-01-2015 14:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/rdf_C-Na.xvg 31726 06-01-2015 14:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/rdf_C-S.xvg 31726 06-01-2015 15:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/rdf_Na-Na.xvg 31725 06-01-2015 15:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/rdf_S-Na.xvg 31725 06-01-2015 14:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/run_gmx.sh 357096 06-01-2015 13:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/state.cpt 357096 06-01-2015 13:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/state_prev.cpt 389098 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/table.xvg 58365 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/table_C_C.xvg 58605 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/table_C_S.xvg 58319 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/table_S_S.xvg 10100 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_50/Prod_run/table_b0.xvg 0 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/ 0 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/ 5812 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/#mdrun.log.1# 213886 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/343K_63.1frame.gro 213885 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/343K_63.Emin.gro 2116 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/343K_63.Emin.mdp 218380 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/343K_63.edr 9796 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/343K_63.top 284452 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/343K_63.tpr 228260 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/343K_63.trr 38 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/cgPEO_343K_63_Emin.o4030135 41617 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/grompp.log 72050 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/index.ndx 10401 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/mdout-343K_63.mdp 171265 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/mdrun.log 10602 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/mol_types_343K_63.itp 231 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/run_gmx.sh 389098 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/table.xvg 58365 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/table_C_C.xvg 58605 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/table_C_Na.xvg 58328 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/table_C_S.xvg 58319 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/table_Na_Na.xvg 58693 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/table_S_Na.xvg 58297 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/table_S_S.xvg 10100 05-31-2015 10:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Emin/table_b0.xvg 0 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/ 7411 05-31-2015 22:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/#mdrun.log.1# 2102 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/343K_63.Equil.mdp 327933 05-31-2015 22:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/343K_63.confout.gro 56876 05-31-2015 22:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/343K_63.edr 9796 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/343K_63.top 284452 05-31-2015 22:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/343K_63.tpr 17457708 05-31-2015 22:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/343K_63.trr 375 05-31-2015 22:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/cgPEO_343K_63_Equil.o4030166 41697 05-31-2015 22:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/grompp.log 72050 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/index.ndx 10385 05-31-2015 22:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/mdout-343K_63.mdp 35264 05-31-2015 22:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/mdrun.log 10602 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/mol_types_343K_63.itp 233 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/run_gmx.sh 384312 05-31-2015 22:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/state.cpt 384312 05-31-2015 22:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/state_prev.cpt 389098 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/table.xvg 58365 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/table_C_C.xvg 58605 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/table_C_Na.xvg 58328 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/table_C_S.xvg 58319 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/table_Na_Na.xvg 58693 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/table_S_Na.xvg 58297 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/table_S_S.xvg 10100 05-31-2015 11:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Equil/table_b0.xvg 0 06-01-2015 15:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/ 7407 06-01-2015 13:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/#mdrun.log.1# 327933 06-01-2015 13:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/343K_63.confout.gro 5541476 06-01-2015 13:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/343K_63.edr 2105 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/343K_63.mdp 9796 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/343K_63.top 284452 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/343K_63.tpr --------- ------- 4429985881 281 files ===================================================== Content of ZIP archive 09.23.14-066.zip ===================================================== Archive: 09.23.14-066.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 06-01-2015 13:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/343K_63.trr 295655 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/Rg_index.ndx 1330 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/bonds.xvg 894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/calc_Rg.sh 1894 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/calc_dist.sh 375 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/cgPEO_343K_63_Prodrun.o4031301 6267 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/cgPEO_calcRg.o4032336 46520 06-01-2015 15:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/cgPEO_calcdist.o4032335 94019 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/distance.xvg 41769 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/grompp.log 72050 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/index.ndx 10381 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/mdout-343K_63.mdp 1813012 06-01-2015 13:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/mdrun.log 10602 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/mol_types_343K_63.itp 235 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/qsub_xv_calcdist.sh 31836 06-01-2015 14:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/rdf_C-C.xvg 31838 06-01-2015 14:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/rdf_C-Na.xvg 31838 06-01-2015 14:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/rdf_C-S.xvg 31836 06-01-2015 15:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/rdf_Na-Na.xvg 31835 06-01-2015 15:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/rdf_S-Na.xvg 31835 06-01-2015 14:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/run_gmx.sh 384312 06-01-2015 13:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/state.cpt 384312 06-01-2015 13:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/state_prev.cpt 389098 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/table.xvg 58365 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/table_C_C.xvg 58605 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/table_C_S.xvg 58319 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/table_S_S.xvg 10100 06-01-2015 04:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_63/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/ 0 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/ 6092 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/#mdrun.log.1# 229682 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/343K_75.1frame.gro 229680 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/343K_75.Emin.gro 2117 05-31-2015 10:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/343K_75.Emin.mdp 569632 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/343K_75.edr 9789 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/343K_75.top 302548 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/343K_75.tpr 245108 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/343K_75.trr 104 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/cgPEO_343K_75_Emin.o4030134 41584 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/grompp.log 75606 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/index.ndx 10401 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/mdout-343K_75.mdp 431813 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/mdrun.log 10603 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/mol_types_343K_75.itp 231 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/qsub_cgsim_Emin.sh 2101 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/run_gmx.sh 389098 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/table.xvg 58365 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/table_C_C.xvg 58605 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/table_C_Na.xvg 58328 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/table_C_S.xvg 58319 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/table_Na_Na.xvg 58693 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/table_S_Na.xvg 58297 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/table_S_S.xvg 10100 05-31-2015 10:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Emin/table_b0.xvg 0 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/ 7427 05-31-2015 22:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/#mdrun.log.1# 2103 05-31-2015 10:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/343K_75.Equil.mdp 352152 05-31-2015 22:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/343K_75.confout.gro 56876 05-31-2015 22:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/343K_75.edr 9789 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/343K_75.top 302548 05-31-2015 21:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/343K_75.tpr 18746580 05-31-2015 22:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/343K_75.trr 375 05-31-2015 21:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/cgPEO_343K_75_Equil.o4030165 41683 05-31-2015 21:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/grompp.log 75606 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/index.ndx 10385 05-31-2015 21:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/mdout-343K_75.mdp 35268 05-31-2015 22:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/mdrun.log 10603 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/mol_types_343K_75.itp 233 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/run_gmx.sh 409584 05-31-2015 22:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/state.cpt 409584 05-31-2015 22:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/state_prev.cpt 389098 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/table.xvg 58365 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/table_C_C.xvg 58605 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/table_C_Na.xvg 58328 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/table_C_S.xvg 58319 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/table_Na_Na.xvg 58693 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/table_S_Na.xvg 58297 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/table_S_S.xvg 10100 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Equil/table_b0.xvg 0 06-01-2015 15:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/ 7434 06-01-2015 14:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/#mdrun.log.1# 352152 06-01-2015 14:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/343K_75.confout.gro 5541476 06-01-2015 14:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/343K_75.edr 2105 05-31-2015 10:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/343K_75.mdp 9789 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/343K_75.top 302548 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/343K_75.tpr 1838267580 06-01-2015 14:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/343K_75.trr 295642 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/Rg_index.ndx 1330 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/bonds.xvg 894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/calc_Rg.sh 1894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/calc_dist.sh 375 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/cgPEO_343K_75_Prodrun.o4031300 6266 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/cgPEO_calcRg.o4032334 46323 06-01-2015 15:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/cgPEO_calcdist.o4032333 94019 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/distance.xvg 41702 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/grompp.log 75606 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/index.ndx 10381 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/mdout-343K_75.mdp 1813122 06-01-2015 14:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/mdrun.log 10603 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/mol_types_343K_75.itp 235 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/qsub_xv_calcdist.sh 31834 06-01-2015 14:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/rdf_C-C.xvg 31836 06-01-2015 14:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/rdf_C-Na.xvg 31837 06-01-2015 14:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/rdf_C-S.xvg 31836 06-01-2015 15:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/rdf_Na-Na.xvg 31836 06-01-2015 15:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/rdf_S-Na.xvg 31838 06-01-2015 14:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/run_gmx.sh 409584 06-01-2015 14:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/state.cpt 409584 06-01-2015 14:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/state_prev.cpt 389098 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/table.xvg 58365 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/table_C_C.xvg 58605 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/table_C_S.xvg 58319 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/table_S_S.xvg 10100 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_75/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/ 0 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/ 6102 05-31-2015 10:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/#mdrun.log.1# 240616 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/343K_83.1frame.gro 240615 05-31-2015 10:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/343K_83.Emin.gro 2116 05-31-2015 10:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/343K_83.Emin.mdp 199372 05-31-2015 10:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/343K_83.edr 9788 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/343K_83.top 315028 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/343K_83.tpr 256772 05-31-2015 10:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/343K_83.trr 104 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/cgPEO_343K_83_Emin.o4030133 41611 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/grompp.log 78069 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/index.ndx 10401 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/mdout-343K_83.mdp 159204 05-31-2015 10:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/mol_types_343K_83.itp 231 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/qsub_cgsim_Emin.sh 2101 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/run_gmx.sh 389098 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/table.xvg 58365 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/table_C_C.xvg 58605 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/table_C_Na.xvg 58328 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/table_C_S.xvg 58319 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/table_Na_Na.xvg 58693 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/table_S_Na.xvg 58297 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/table_S_S.xvg 10100 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Emin/table_b0.xvg 0 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/ 7426 05-31-2015 22:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/#mdrun.log.1# 2102 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/343K_83.Equil.mdp 368919 05-31-2015 22:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/343K_83.confout.gro 56876 05-31-2015 22:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/343K_83.edr 9788 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/343K_83.top 315028 05-31-2015 21:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/343K_83.tpr 19638876 05-31-2015 22:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/343K_83.trr 375 05-31-2015 21:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/cgPEO_343K_83_Equil.o4030154 41685 05-31-2015 21:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/grompp.log 78069 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/index.ndx 10385 05-31-2015 21:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/mdout-343K_83.mdp 35272 05-31-2015 22:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/mol_types_343K_83.itp 233 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/run_gmx.sh 427080 05-31-2015 22:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/state.cpt 427080 05-31-2015 22:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/state_prev.cpt 389098 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/table.xvg 58365 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/table_C_C.xvg 58605 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/table_C_Na.xvg 58328 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/table_C_S.xvg 58319 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/table_Na_Na.xvg 58693 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/table_S_Na.xvg 58297 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/table_S_S.xvg 10100 05-31-2015 11:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Equil/table_b0.xvg 0 06-01-2015 15:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/ 7531 06-01-2015 14:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/#mdrun.log.1# 368919 06-01-2015 14:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/343K_83.confout.gro 5541476 06-01-2015 14:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/343K_83.edr 2105 05-31-2015 10:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/343K_83.mdp 9788 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/343K_83.top 315028 06-01-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/343K_83.tpr --------- ------- 3619551616 188 files ===================================================== Content of ZIP archive 09.23.14-067.zip ===================================================== Archive: 09.23.14-067.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 06-01-2015 14:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/343K_83.trr 295670 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/Rg_index.ndx 1330 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/bonds.xvg 894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/calc_Rg.sh 1894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/calc_dist.sh 375 06-01-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/cgPEO_343K_83_Prodrun.o4031299 6289 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/cgPEO_calcRg.o4032331 46310 06-01-2015 15:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/cgPEO_calcdist.o4032330 94019 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/distance.xvg 41707 06-01-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/grompp.log 78069 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/index.ndx 10381 06-01-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/mdout-343K_83.mdp 1813314 06-01-2015 14:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/mol_types_343K_83.itp 235 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/qsub_xv_calcdist.sh 31900 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/rdf_C-C.xvg 31901 06-01-2015 14:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/rdf_C-Na.xvg 31904 06-01-2015 14:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/rdf_C-S.xvg 31903 06-01-2015 15:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/rdf_Na-Na.xvg 31902 06-01-2015 15:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/rdf_S-Na.xvg 31904 06-01-2015 14:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/run_gmx.sh 427080 06-01-2015 14:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/state.cpt 427080 06-01-2015 14:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/state_prev.cpt 389098 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/table.xvg 58365 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/table_C_C.xvg 58605 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/table_C_S.xvg 58319 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/table_S_S.xvg 10100 06-01-2015 04:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_343K_83/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/ 0 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/ 5819 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/#mdrun.log.1# 262482 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/373K_100.1frame.gro 262485 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/373K_100.Emin.gro 2101 05-31-2015 10:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/373K_100.Emin.mdp 108688 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/373K_100.edr 1393 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/373K_100.top 306228 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/373K_100.tpr 280100 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/373K_100.trr 37 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/cgPEO_373K_100_Emin.o4030124 3249 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/grompp.log 82987 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/index.ndx 10387 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/mdout-373K_100.mdp 101231 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/mdrun.log 544 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/mol_types_373K_100.itp 232 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/qsub_cgsim_Emin.sh 2098 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/run_gmx.sh 389098 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/table.xvg 58365 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/table_C_C.xvg 58605 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/table_C_Na.xvg 58328 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/table_C_S.xvg 58319 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/table_Na_Na.xvg 58693 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/table_S_Na.xvg 58297 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/table_S_S.xvg 10100 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Emin/table_b0.xvg 0 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/ 7529 05-31-2015 17:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/#mdrun.log.1# 2088 05-31-2015 10:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/373K_100.Equil.mdp 402453 05-31-2015 17:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/373K_100.confout.gro 49460 05-31-2015 17:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/373K_100.edr 1393 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/373K_100.top 306228 05-31-2015 16:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/373K_100.tpr 21423468 05-31-2015 17:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/373K_100.trr 375 05-31-2015 16:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/cgPEO_373K_100_Equil.o4030146 3373 05-31-2015 16:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/grompp.log 82987 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/index.ndx 10371 05-31-2015 16:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/mdout-373K_100.mdp 34789 05-31-2015 17:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/mdrun.log 544 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/mol_types_373K_100.itp 234 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/qsub_cgsim_Equil.sh 2112 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/run_gmx.sh 461928 05-31-2015 17:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/state.cpt 461928 05-31-2015 17:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/state_prev.cpt 389098 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/table.xvg 58365 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/table_C_C.xvg 58605 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/table_C_Na.xvg 58328 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/table_C_S.xvg 58319 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/table_Na_Na.xvg 58693 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/table_S_Na.xvg 58297 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/table_S_S.xvg 10100 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Equil/table_b0.xvg 0 06-01-2015 15:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/ 7463 06-01-2015 12:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/#mdrun.log.1# 402453 06-01-2015 12:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/373K_100.confout.gro 4821260 06-01-2015 12:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/373K_100.edr 2090 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/373K_100.mdp 1393 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/373K_100.top 306228 06-01-2015 08:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/373K_100.tpr 2100760068 06-01-2015 12:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/373K_100.trr 295645 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/Rg_index.ndx 1311 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/bonds.xvg 895 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/calc_Rg.sh 1907 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/calc_dist.sh 375 06-01-2015 08:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/cgPEO_373K_100_Prodrun.o4031291 6302 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/cgPEO_calcRg.o4032311 25770 06-01-2015 15:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/cgPEO_calcdist.o4032310 94019 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/distance.xvg 3397 06-01-2015 08:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/grompp.log 82987 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/index.ndx 10367 06-01-2015 08:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/mdout-373K_100.mdp 1812595 06-01-2015 12:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/mdrun.log 544 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/mol_types_373K_100.itp 236 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/qsub_xv_calcdist.sh 32144 06-01-2015 15:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/rdf_Na-Na.xvg 32145 06-01-2015 15:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/rdf_S-Na.xvg 32145 06-01-2015 14:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/rdf_S-S.xvg 2110 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/run_gmx.sh 461928 06-01-2015 12:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/state.cpt 461928 06-01-2015 12:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/state_prev.cpt 389098 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/table.xvg 58365 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/table_C_C.xvg 58605 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/table_C_S.xvg 58319 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/table_S_S.xvg 10100 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_100/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/ 0 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/ 6107 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/#mdrun.log.1# 164071 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/373K_25.1frame.gro 164070 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/373K_25.Emin.gro 2117 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/373K_25.Emin.mdp 254020 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/373K_25.edr 9785 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/373K_25.top 226728 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/373K_25.tpr 175124 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/373K_25.trr 103 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/cgPEO_373K_25_Emin.o4030131 41594 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/grompp.log 60831 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/index.ndx 10401 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/mdout-373K_25.mdp 199483 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/mol_types_373K_25.itp 231 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/qsub_cgsim_Emin.sh 2101 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/run_gmx.sh 389098 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/table.xvg 58365 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/table_C_C.xvg 58605 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/table_C_Na.xvg 58328 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/table_C_S.xvg 58319 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/table_Na_Na.xvg 58693 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/table_S_Na.xvg 58297 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/table_S_S.xvg 10100 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Emin/table_b0.xvg 0 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/ 7438 05-31-2015 18:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/#mdrun.log.1# 2102 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/373K_25.Equil.mdp 251550 05-31-2015 18:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/373K_25.confout.gro 56876 05-31-2015 18:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/373K_25.edr 9785 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/373K_25.top 226728 05-31-2015 18:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/373K_25.tpr 13392804 05-31-2015 18:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/373K_25.trr 375 05-31-2015 18:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/cgPEO_373K_25_Equil.o4030152 41696 05-31-2015 18:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/grompp.log 60831 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/index.ndx 10384 05-31-2015 18:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/mdout-373K_25.mdp 35204 05-31-2015 18:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/mol_types_373K_25.itp 233 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/run_gmx.sh 304608 05-31-2015 18:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/state.cpt 389098 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/table.xvg 58365 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/table_C_C.xvg 58605 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/table_C_Na.xvg 58328 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/table_C_S.xvg 58319 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/table_Na_Na.xvg 58693 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/table_S_Na.xvg 58297 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/table_S_S.xvg 10100 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Equil/table_b0.xvg 0 06-10-2015 05:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/ 7414 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/#mdrun.log.1# 251550 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/373K_25.confout.gro 5541476 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/373K_25.edr 2106 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/373K_25.mdp 9785 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/373K_25.top 226728 06-01-2015 09:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/373K_25.tpr --------- ------- 4089863930 184 files ===================================================== Content of ZIP archive 09.23.14-068.zip ===================================================== Archive: 09.23.14-068.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/373K_25.trr 295664 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/Rg_index.ndx 1330 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/bonds.xvg 894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/calc_Rg.sh 1894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/calc_dist.sh 375 06-01-2015 09:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/cgPEO_373K_25_Prodrun.o4031297 6308 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/cgPEO_calcRg.o4032326 46434 06-01-2015 14:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/cgPEO_calcdist.o4032325 94019 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/distance.xvg 41706 06-01-2015 09:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/grompp.log 60831 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/index.ndx 10380 06-01-2015 09:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/mdout-373K_25.mdp 1812768 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/mol_types_373K_25.itp 235 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/qsub_xv_calcdist.sh 31727 06-01-2015 14:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/rdf_C-C.xvg 31727 06-01-2015 14:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/rdf_C-Na.xvg 31728 06-01-2015 14:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/rdf_C-S.xvg 31726 06-01-2015 14:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/rdf_Na-Na.xvg 31724 06-01-2015 14:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/rdf_S-Na.xvg 31725 06-01-2015 14:56 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/run_gmx.sh 304608 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/state.cpt 304608 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/state_prev.cpt 389098 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/table.xvg 58365 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/table_C_C.xvg 58605 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/table_C_S.xvg 58319 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/table_S_S.xvg 10100 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_25/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/ 0 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/ 6106 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/#mdrun.log.1# 181081 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/373K_38.1frame.gro 181080 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/373K_38.Emin.gro 2117 05-31-2015 10:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/373K_38.Emin.mdp 196204 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/373K_38.edr 9788 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/373K_38.top 246508 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/373K_38.tpr 193268 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/373K_38.trr 102 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/cgPEO_373K_38_Emin.o4030130 41606 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/grompp.log 64662 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/index.ndx 10401 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/mdout-373K_38.mdp 156885 05-31-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/mdrun.log 10601 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/mol_types_373K_38.itp 231 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/qsub_cgsim_Emin.sh 2101 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/run_gmx.sh 389098 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/table.xvg 58365 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/table_C_C.xvg 58605 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/table_C_Na.xvg 58328 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/table_C_S.xvg 58319 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/table_Na_Na.xvg 58693 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/table_S_Na.xvg 58297 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/table_S_S.xvg 10100 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Emin/table_b0.xvg 0 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/ 7402 05-31-2015 18:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/#mdrun.log.1# 2103 05-31-2015 10:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/373K_38.Equil.mdp 277632 05-31-2015 18:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/373K_38.confout.gro 56876 05-31-2015 18:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/373K_38.edr 9788 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/373K_38.top 246508 05-31-2015 18:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/373K_38.tpr 14780820 05-31-2015 18:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/373K_38.trr 375 05-31-2015 18:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/cgPEO_373K_38_Equil.o4030151 41700 05-31-2015 18:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/grompp.log 64662 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/index.ndx 10385 05-31-2015 18:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/mdout-373K_38.mdp 35200 05-31-2015 18:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/mdrun.log 10601 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/mol_types_373K_38.itp 233 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/run_gmx.sh 331824 05-31-2015 18:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/state.cpt 389098 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/table.xvg 58365 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/table_C_C.xvg 58605 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/table_C_Na.xvg 58328 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/table_C_S.xvg 58319 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/table_Na_Na.xvg 58693 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/table_S_Na.xvg 58297 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/table_S_S.xvg 10100 05-31-2015 11:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Equil/table_b0.xvg 0 06-01-2015 15:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/ 7538 06-01-2015 11:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/#mdrun.log.1# 277632 06-01-2015 11:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/373K_38.confout.gro 5541476 06-01-2015 11:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/373K_38.edr 2106 05-31-2015 10:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/373K_38.mdp 9788 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/373K_38.top 246508 06-01-2015 08:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/373K_38.tpr 1449389820 06-01-2015 11:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/373K_38.trr 295656 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/Rg_index.ndx 1330 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/bonds.xvg 894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/calc_Rg.sh 1894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/calc_dist.sh 374 06-01-2015 08:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/cgPEO_373K_38_Prodrun.o4031296 6268 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/cgPEO_calcRg.o4032323 46459 06-01-2015 15:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/cgPEO_calcdist.o4032322 94019 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/distance.xvg 41705 06-01-2015 08:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/grompp.log 64662 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/index.ndx 10381 06-01-2015 08:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/mdout-373K_38.mdp 1812999 06-01-2015 11:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/mdrun.log 10601 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/mol_types_373K_38.itp 235 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/qsub_xv_calcdist.sh 31837 06-01-2015 14:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/rdf_C-C.xvg 31837 06-01-2015 14:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/rdf_C-Na.xvg 31836 06-01-2015 14:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/rdf_C-S.xvg 31835 06-01-2015 15:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/rdf_Na-Na.xvg 31836 06-01-2015 14:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/rdf_S-Na.xvg 31837 06-01-2015 14:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/run_gmx.sh 331824 06-01-2015 11:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/state.cpt 331824 06-01-2015 11:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/state_prev.cpt 389098 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/table.xvg 58365 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/table_C_C.xvg 58605 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/table_C_S.xvg 58319 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/table_S_S.xvg 10100 06-01-2015 04:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_38/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/ 0 05-31-2015 11:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/ 5796 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/#mdrun.log.1# 196876 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/373K_50.1frame.gro 196875 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/373K_50.Emin.gro 2117 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/373K_50.Emin.mdp 198976 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/373K_50.edr 9787 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/373K_50.top 264672 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/373K_50.tpr 210116 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/373K_50.trr 37 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/cgPEO_373K_50_Emin.o4030129 41622 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/grompp.log 68221 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/index.ndx 248 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/make_bond_index.py 10400 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/mdout-373K_50.mdp 156973 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/mdrun.log 10602 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/mol_types_373K_50.itp 231 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/qsub_cgsim_Emin.sh 231 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/qsub_xv.sh 2097 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/run_gmx.sh 389098 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/table.xvg 58365 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/table_C_C.xvg 58605 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/table_C_Na.xvg 58328 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/table_C_S.xvg 58319 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/table_Na_Na.xvg 58693 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/table_S_Na.xvg 58297 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/table_S_S.xvg 10100 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Emin/table_b0.xvg 0 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/ 7415 05-31-2015 18:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/#mdrun.log.1# 2105 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/373K_50.Equil.mdp 301851 05-31-2015 18:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/373K_50.confout.gro 56876 05-31-2015 18:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/373K_50.edr 9787 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/373K_50.top 264672 05-31-2015 18:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/373K_50.tpr 16069692 05-31-2015 18:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/373K_50.trr 375 05-31-2015 18:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/cgPEO_373K_50_Equil.o4030150 41687 05-31-2015 18:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/grompp.log 68221 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/index.ndx 10384 05-31-2015 18:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/mdout-373K_50.mdp 35268 05-31-2015 18:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/mdrun.log 10602 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/mol_types_373K_50.itp 232 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/qsub_cgsim_Equil.sh 233 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/qsub_xv.sh 2111 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/run_gmx.sh 357096 05-31-2015 18:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/state.cpt 357096 05-31-2015 18:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/state_prev.cpt 389098 05-31-2015 11:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/table.xvg 58365 05-31-2015 11:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/table_C_C.xvg 58605 05-31-2015 11:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/table_C_Na.xvg 58328 05-31-2015 11:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/table_C_S.xvg 58319 05-31-2015 11:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/table_Na_Na.xvg 58693 05-31-2015 11:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/table_S_Na.xvg 58297 05-31-2015 11:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/table_S_S.xvg 10100 05-31-2015 11:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Equil/table_b0.xvg 0 06-01-2015 15:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/ 7545 06-01-2015 11:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/#mdrun.log.1# 301851 06-01-2015 11:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/373K_50.confout.gro 5541476 06-01-2015 11:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/373K_50.edr 2104 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/373K_50.mdp 9787 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/373K_50.top 264672 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/373K_50.tpr 1575775092 06-01-2015 11:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/373K_50.trr 295652 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/Rg_index.ndx 1330 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/bonds.xvg 894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/calc_Rg.sh 1894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/calc_dist.sh 375 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/cgPEO_373K_50_Prodrun.o4031295 6266 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/cgPEO_calcRg.o4032321 46367 06-01-2015 15:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/cgPEO_calcdist.o4032319 94019 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/distance.xvg 41724 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/grompp.log 68221 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/index.ndx 10380 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/mdout-373K_50.mdp 1813066 06-01-2015 11:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/mdrun.log 10602 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/mol_types_373K_50.itp 235 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/qsub_xv_calcdist.sh 31924 06-01-2015 14:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/rdf_C-C.xvg 31923 06-01-2015 14:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/rdf_C-Na.xvg 31925 06-01-2015 14:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/rdf_C-S.xvg 31923 06-01-2015 15:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/rdf_Na-Na.xvg 31924 06-01-2015 15:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/rdf_S-Na.xvg 31925 06-01-2015 14:56 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/run_gmx.sh 357096 06-01-2015 11:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/state.cpt 357096 06-01-2015 11:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/state_prev.cpt 389098 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/table.xvg 58365 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/table_C_C.xvg 58605 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/table_C_S.xvg 58319 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/table_S_S.xvg 10100 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_50/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/ 0 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/ 5761 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/#mdrun.log.1# 213886 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/373K_63.1frame.gro 213885 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/373K_63.Emin.gro 2117 05-31-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/373K_63.Emin.mdp 444496 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/373K_63.edr 9791 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/373K_63.top 284452 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/373K_63.tpr 228260 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/373K_63.trr 37 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/cgPEO_373K_63_Emin.o4030128 41579 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/grompp.log 72050 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/index.ndx 10401 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/mdout-373K_63.mdp 337665 05-31-2015 10:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/mdrun.log 10602 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/mol_types_373K_63.itp 231 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/run_gmx.sh 389098 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/table.xvg 58365 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/table_C_C.xvg 58605 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/table_C_Na.xvg 58328 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/table_C_S.xvg 58319 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/table_Na_Na.xvg 58693 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/table_S_Na.xvg 58297 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/table_S_S.xvg 10100 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Emin/table_b0.xvg 0 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/ 7417 05-31-2015 17:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/#mdrun.log.1# 2103 05-31-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/373K_63.Equil.mdp 327933 05-31-2015 17:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/373K_63.confout.gro 56876 05-31-2015 17:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/373K_63.edr 9791 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/373K_63.top 284452 05-31-2015 17:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/373K_63.tpr 17457708 05-31-2015 17:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/373K_63.trr 375 05-31-2015 17:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/cgPEO_373K_63_Equil.o4030149 41759 05-31-2015 17:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/grompp.log 72050 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/index.ndx 10385 05-31-2015 17:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/mdout-373K_63.mdp 35270 05-31-2015 17:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/mdrun.log 10602 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/mol_types_373K_63.itp 233 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/run_gmx.sh 384312 05-31-2015 17:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/state.cpt 384312 05-31-2015 17:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/state_prev.cpt 389098 05-31-2015 11:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/table.xvg 58365 05-31-2015 11:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/table_C_C.xvg 58605 05-31-2015 11:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/table_C_Na.xvg 58328 05-31-2015 11:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/table_C_S.xvg 58319 05-31-2015 11:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/table_Na_Na.xvg 58693 05-31-2015 11:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/table_S_Na.xvg 58297 05-31-2015 11:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/table_S_S.xvg 10100 05-31-2015 11:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Equil/table_b0.xvg 0 06-01-2015 15:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/ 7524 06-01-2015 12:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/#mdrun.log.1# 327933 06-01-2015 12:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/373K_63.confout.gro 5541476 06-01-2015 12:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/373K_63.edr 2106 05-31-2015 10:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/373K_63.mdp 9791 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/373K_63.top 284452 06-01-2015 08:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/373K_63.tpr --------- ------- 4430473011 284 files ===================================================== Content of ZIP archive 09.23.14-069.zip ===================================================== Archive: 09.23.14-069.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 06-01-2015 12:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/373K_63.trr 295625 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/Rg_index.ndx 1330 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/bonds.xvg 894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/calc_Rg.sh 1894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/calc_dist.sh 375 06-01-2015 08:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/cgPEO_373K_63_Prodrun.o4031294 6317 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/cgPEO_calcRg.o4032318 46368 06-01-2015 15:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/cgPEO_calcdist.o4032316 94019 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/distance.xvg 41721 06-01-2015 08:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/grompp.log 72050 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/index.ndx 10381 06-01-2015 08:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/mdout-373K_63.mdp 1813192 06-01-2015 12:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/mdrun.log 10602 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/mol_types_373K_63.itp 235 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/qsub_xv_calcdist.sh 31989 06-01-2015 14:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/rdf_C-C.xvg 31991 06-01-2015 14:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/rdf_C-Na.xvg 31991 06-01-2015 14:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/rdf_C-S.xvg 31991 06-01-2015 15:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/rdf_Na-Na.xvg 31989 06-01-2015 15:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/rdf_S-Na.xvg 31990 06-01-2015 14:56 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/run_gmx.sh 384312 06-01-2015 12:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/state.cpt 384312 06-01-2015 12:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/state_prev.cpt 389098 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/table.xvg 58365 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/table_C_C.xvg 58605 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/table_C_S.xvg 58319 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/table_S_S.xvg 10100 06-01-2015 04:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_63/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/ 0 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/ 6102 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/#mdrun.log.1# 229682 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/373K_75.1frame.gro 229680 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/373K_75.Emin.gro 2116 05-31-2015 10:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/373K_75.Emin.mdp 219568 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/373K_75.edr 9786 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/373K_75.top 302548 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/373K_75.tpr 245108 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/373K_75.trr 102 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/cgPEO_373K_75_Emin.o4030126 41597 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/grompp.log 75606 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/index.ndx 10400 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/mdout-373K_75.mdp 174131 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/mdrun.log 10603 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/mol_types_373K_75.itp 231 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/qsub_cgsim_Emin.sh 2101 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/run_gmx.sh 389098 05-31-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/table.xvg 58365 05-31-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/table_C_C.xvg 58605 05-31-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/table_C_Na.xvg 58328 05-31-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/table_C_S.xvg 58319 05-31-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/table_Na_Na.xvg 58693 05-31-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/table_S_Na.xvg 58297 05-31-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/table_S_S.xvg 10100 05-31-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Emin/table_b0.xvg 0 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/ 7424 05-31-2015 17:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/#mdrun.log.1# 2102 05-31-2015 10:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/373K_75.Equil.mdp 352152 05-31-2015 17:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/373K_75.confout.gro 56876 05-31-2015 17:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/373K_75.edr 9786 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/373K_75.top 302548 05-31-2015 16:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/373K_75.tpr 18746580 05-31-2015 17:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/373K_75.trr 375 05-31-2015 16:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/cgPEO_373K_75_Equil.o4030148 41718 05-31-2015 16:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/grompp.log 75606 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/index.ndx 10384 05-31-2015 16:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/mdout-373K_75.mdp 35264 05-31-2015 17:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/mdrun.log 10603 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/mol_types_373K_75.itp 233 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/run_gmx.sh 409584 05-31-2015 17:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/state.cpt 409584 05-31-2015 17:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/state_prev.cpt 389098 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/table.xvg 58365 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/table_C_C.xvg 58605 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/table_C_Na.xvg 58328 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/table_C_S.xvg 58319 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/table_Na_Na.xvg 58693 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/table_S_Na.xvg 58297 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/table_S_S.xvg 10100 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Equil/table_b0.xvg 0 06-01-2015 15:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/ 7420 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/#mdrun.log.1# 352152 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/373K_75.confout.gro 5541476 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/373K_75.edr 2105 05-31-2015 10:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/373K_75.mdp 9786 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/373K_75.top 302548 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/373K_75.tpr 1838267580 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/373K_75.trr 295656 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/Rg_index.ndx 1330 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/bonds.xvg 894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/calc_Rg.sh 1894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/calc_dist.sh 368 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/cgPEO_373K_75_Prodrun.o4031293 6268 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/cgPEO_calcRg.o4032315 46414 06-01-2015 15:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/cgPEO_calcdist.o4032314 94019 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/distance.xvg 41697 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/grompp.log 75606 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/index.ndx 10380 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/mdout-373K_75.mdp 1812995 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/mdrun.log 10603 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/mol_types_373K_75.itp 235 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/qsub_xv_calcdist.sh 32033 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/rdf_C-C.xvg 32034 06-01-2015 14:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/rdf_C-Na.xvg 32035 06-01-2015 14:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/rdf_C-S.xvg 32035 06-01-2015 15:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/rdf_Na-Na.xvg 32035 06-01-2015 15:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/rdf_S-Na.xvg 32037 06-01-2015 14:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/run_gmx.sh 409584 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/state.cpt 409584 06-01-2015 11:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/state_prev.cpt 389098 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/table.xvg 58365 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/table_C_C.xvg 58605 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/table_C_S.xvg 58319 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/table_S_S.xvg 10100 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_75/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/ 0 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/ 6120 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/#mdrun.log.1# 240616 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/373K_83.1frame.gro 240615 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/373K_83.Emin.gro 2116 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/373K_83.Emin.mdp 684076 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/373K_83.edr 9791 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/373K_83.top 315028 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/373K_83.tpr 256772 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/373K_83.trr 100 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/cgPEO_373K_83_Emin.o4030125 41631 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/grompp.log 78069 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/index.ndx 10401 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/mdout-373K_83.mdp 515965 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/mol_types_373K_83.itp 231 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/qsub_cgsim_Emin.sh 2101 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/run_gmx.sh 389098 05-31-2015 10:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/table.xvg 58365 05-31-2015 10:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/table_C_C.xvg 58605 05-31-2015 10:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/table_C_Na.xvg 58328 05-31-2015 10:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/table_C_S.xvg 58319 05-31-2015 10:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/table_Na_Na.xvg 58693 05-31-2015 10:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/table_S_Na.xvg 58297 05-31-2015 10:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/table_S_S.xvg 10100 05-31-2015 10:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Emin/table_b0.xvg 0 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/ 7582 05-31-2015 17:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/#mdrun.log.1# 2102 05-31-2015 10:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/373K_83.Equil.mdp 368919 05-31-2015 17:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/373K_83.confout.gro 56876 05-31-2015 17:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/373K_83.edr 9791 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/373K_83.top 315028 05-31-2015 16:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/373K_83.tpr 19638876 05-31-2015 17:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/373K_83.trr 375 05-31-2015 16:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/cgPEO_373K_83_Equil.o4030147 41706 05-31-2015 16:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/grompp.log 78069 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/index.ndx 10385 05-31-2015 16:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/mdout-373K_83.mdp 35382 05-31-2015 17:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/mol_types_373K_83.itp 233 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/run_gmx.sh 427080 05-31-2015 17:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/state.cpt 427080 05-31-2015 17:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/state_prev.cpt 389098 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/table.xvg 58365 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/table_C_C.xvg 58605 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/table_C_Na.xvg 58328 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/table_C_S.xvg 58319 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/table_Na_Na.xvg 58693 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/table_S_Na.xvg 58297 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/table_S_S.xvg 10100 05-31-2015 11:09 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Equil/table_b0.xvg 0 06-01-2015 15:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/ 7516 06-01-2015 12:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/#mdrun.log.1# 368919 06-01-2015 12:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/373K_83.confout.gro 5541476 06-01-2015 12:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/373K_83.edr 2105 05-31-2015 10:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/373K_83.mdp 9791 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/373K_83.top 315028 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/373K_83.tpr --------- ------- 3619787754 188 files ===================================================== Content of ZIP archive 09.23.14-070.zip ===================================================== Archive: 09.23.14-070.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 06-01-2015 12:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/373K_83.trr 295656 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/Rg_index.ndx 1330 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/bonds.xvg 894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/calc_Rg.sh 1894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/calc_dist.sh 375 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/cgPEO_373K_83_Prodrun.o4031292 6295 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/cgPEO_calcRg.o4032313 46347 06-01-2015 15:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/cgPEO_calcdist.o4032312 94019 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/distance.xvg 41698 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/grompp.log 78069 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/index.ndx 10381 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/mdout-373K_83.mdp 1813310 06-01-2015 12:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/mol_types_373K_83.itp 235 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/qsub_xv_calcdist.sh 31967 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/rdf_C-C.xvg 31968 06-01-2015 14:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/rdf_C-Na.xvg 31968 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/rdf_C-S.xvg 31969 06-01-2015 15:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/rdf_Na-Na.xvg 31969 06-01-2015 15:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/rdf_S-Na.xvg 31969 06-01-2015 14:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/run_gmx.sh 427080 06-01-2015 12:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/state.cpt 427080 06-01-2015 12:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/state_prev.cpt 389098 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/table.xvg 58365 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/table_C_C.xvg 58605 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/table_C_S.xvg 58319 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/table_S_S.xvg 10100 06-01-2015 04:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_373K_83/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/ 0 05-31-2015 11:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/ 6130 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/#mdrun.log.1# 262487 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/398K_100.1frame.gro 262485 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/398K_100.Emin.gro 2101 05-31-2015 10:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/398K_100.Emin.mdp 249976 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/398K_100.edr 1393 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/398K_100.top 306228 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/398K_100.tpr 280100 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/398K_100.trr 104 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/cgPEO_398K_100_Emin.o4030117 3257 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/grompp.log 82987 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/index.ndx 10387 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/mdout-398K_100.mdp 221506 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/mdrun.log 544 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/mol_types_398K_100.itp 232 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/qsub_cgsim_Emin.sh 2102 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/run_gmx.sh 389098 05-31-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/table.xvg 58365 05-31-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/table_C_C.xvg 58605 05-31-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/table_C_Na.xvg 58328 05-31-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/table_C_S.xvg 58319 05-31-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/table_Na_Na.xvg 58693 05-31-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/table_S_Na.xvg 58297 05-31-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/table_S_S.xvg 10100 05-31-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Emin/table_b0.xvg 0 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/ 7529 05-31-2015 12:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/#mdrun.log.1# 2087 05-31-2015 10:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/398K_100.Equil.mdp 402453 05-31-2015 12:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/398K_100.confout.gro 49460 05-31-2015 12:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/398K_100.edr 1393 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/398K_100.top 306228 05-31-2015 12:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/398K_100.tpr 21423468 05-31-2015 12:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/398K_100.trr 375 05-31-2015 12:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/cgPEO_398K_100_Equil.o4030139 3377 05-31-2015 12:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/grompp.log 82987 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/index.ndx 10371 05-31-2015 12:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/mdout-398K_100.mdp 34782 05-31-2015 12:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/mdrun.log 544 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/mol_types_398K_100.itp 234 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/qsub_cgsim_Equil.sh 2112 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/run_gmx.sh 461928 05-31-2015 12:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/state.cpt 461928 05-31-2015 12:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/state_prev.cpt 389098 05-31-2015 11:04 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/table.xvg 58365 05-31-2015 11:04 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/table_C_C.xvg 58605 05-31-2015 11:04 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/table_C_Na.xvg 58328 05-31-2015 11:04 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/table_C_S.xvg 58319 05-31-2015 11:04 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/table_Na_Na.xvg 58693 05-31-2015 11:04 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/table_S_Na.xvg 58297 05-31-2015 11:04 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/table_S_S.xvg 10100 05-31-2015 11:04 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Equil/table_b0.xvg 0 06-01-2015 15:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/ 7575 06-01-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/#mdrun.log.1# 402453 06-01-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/398K_100.confout.gro 4821260 06-01-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/398K_100.edr 2090 05-31-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/398K_100.mdp 1393 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/398K_100.top 306228 06-01-2015 06:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/398K_100.tpr 2100760068 06-01-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/398K_100.trr 295644 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/Rg_index.ndx 1311 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/bonds.xvg 895 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/calc_Rg.sh 1907 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/calc_dist.sh 373 06-01-2015 06:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/cgPEO_398K_100_Prodrun.o4031284 6267 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/cgPEO_calcRg.o4032297 25881 06-01-2015 15:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/cgPEO_calcdist.o4032296 94019 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/distance.xvg 3430 06-01-2015 06:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/grompp.log 82987 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/index.ndx 10367 06-01-2015 06:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/mdout-398K_100.mdp 1812837 06-01-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/mdrun.log 544 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/mol_types_398K_100.itp 236 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/qsub_xv_calcdist.sh 32144 06-01-2015 15:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/rdf_Na-Na.xvg 32145 06-01-2015 15:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/rdf_S-Na.xvg 32147 06-01-2015 14:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/rdf_S-S.xvg 2110 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/run_gmx.sh 461928 06-01-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/state.cpt 461928 06-01-2015 11:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/state_prev.cpt 389098 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/table.xvg 58365 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/table_C_C.xvg 58605 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/table_C_S.xvg 58319 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/table_S_S.xvg 10100 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_100/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/ 0 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/ 5774 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/#mdrun.log.1# 164071 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/398K_25.1frame.gro 164070 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/398K_25.Emin.gro 2116 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/398K_25.Emin.mdp 197392 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/398K_25.edr 9792 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/398K_25.top 226728 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/398K_25.tpr 175124 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/398K_25.trr 37 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/cgPEO_398K_25_Emin.o4030123 41738 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/grompp.log 60831 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/index.ndx 10400 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/mdout-398K_25.mdp 155809 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/mol_types_398K_25.itp 231 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/run_gmx.sh 389098 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/table.xvg 58365 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/table_C_C.xvg 58605 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/table_C_Na.xvg 58328 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/table_C_S.xvg 58319 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/table_Na_Na.xvg 58693 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/table_S_Na.xvg 58297 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/table_S_S.xvg 10100 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Emin/table_b0.xvg 0 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/ 7528 05-31-2015 16:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/#mdrun.log.1# 2103 05-31-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/398K_25.Equil.mdp 251550 05-31-2015 16:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/398K_25.confout.gro 56876 05-31-2015 16:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/398K_25.edr 9792 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/398K_25.top 226728 05-31-2015 16:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/398K_25.tpr 13392804 05-31-2015 16:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/398K_25.trr 375 05-31-2015 16:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/cgPEO_398K_25_Equil.o4030145 41694 05-31-2015 16:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/grompp.log 60831 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/index.ndx 10384 05-31-2015 16:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/mdout-398K_25.mdp 35318 05-31-2015 16:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/mol_types_398K_25.itp 233 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/run_gmx.sh 304608 05-31-2015 16:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/state.cpt 389098 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/table.xvg 58365 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/table_C_C.xvg 58605 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/table_C_Na.xvg 58328 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/table_C_S.xvg 58319 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/table_Na_Na.xvg 58693 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/table_S_Na.xvg 58297 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/table_S_S.xvg 10100 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Equil/table_b0.xvg 0 06-01-2015 14:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/ 7525 06-01-2015 10:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/#mdrun.log.1# 251550 06-01-2015 10:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/398K_25.confout.gro 5541476 06-01-2015 10:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/398K_25.edr 2106 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/398K_25.mdp 9792 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/398K_25.top 226728 06-01-2015 08:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/398K_25.tpr --------- ------- 4090026530 184 files ===================================================== Content of ZIP archive 09.23.14-071.zip ===================================================== Archive: 09.23.14-071.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 06-01-2015 10:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/398K_25.trr 295656 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/Rg.xvg 14784 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/Rg_index.ndx 1330 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/bonds.xvg 894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/calc_Rg.sh 1894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/calc_dist.sh 375 06-01-2015 08:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/cgPEO_398K_25_Prodrun.o4031290 6289 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/cgPEO_calcRg.o4032309 46374 06-01-2015 14:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/cgPEO_calcdist.o4032308 94019 06-01-2015 14:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/distance.xvg 41710 06-01-2015 08:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/grompp.log 60831 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/index.ndx 10380 06-01-2015 08:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/mdout-398K_25.mdp 1812925 06-01-2015 10:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/mdrun.log 10604 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/mol_types_398K_25.itp 235 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/qsub_xv_calcdist.sh 31882 06-01-2015 14:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/rdf_C-C.xvg 31881 06-01-2015 14:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/rdf_C-Na.xvg 31880 06-01-2015 14:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/rdf_C-S.xvg 31879 06-01-2015 14:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/rdf_Na-Na.xvg 31880 06-01-2015 14:56 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/rdf_S-Na.xvg 31878 06-01-2015 14:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/run_gmx.sh 304608 06-01-2015 10:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/state.cpt 304608 06-01-2015 10:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/state_prev.cpt 389098 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/table.xvg 58365 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/table_C_C.xvg 58605 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/table_C_S.xvg 58319 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/table_S_S.xvg 10100 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_25/Prod_run/table_b0.xvg 0 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/ 0 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/ 5793 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/#mdrun.log.1# 181081 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/398K_38.1frame.gro 181080 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/398K_38.Emin.gro 2117 05-31-2015 10:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/398K_38.Emin.mdp 304312 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/398K_38.edr 9791 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/398K_38.top 246508 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/398K_38.tpr 193268 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/398K_38.trr 37 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/cgPEO_398K_38_Emin.o4030122 41596 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/grompp.log 64662 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/index.ndx 10401 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/mdout-398K_38.mdp 234592 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/mdrun.log 10601 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/mol_types_398K_38.itp 231 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/run_gmx.sh 389098 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/table.xvg 58365 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/table_C_C.xvg 58605 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/table_C_Na.xvg 58328 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/table_C_S.xvg 58319 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/table_Na_Na.xvg 58693 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/table_S_Na.xvg 58297 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/table_S_S.xvg 10100 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Emin/table_b0.xvg 0 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/ 7536 05-31-2015 16:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/#mdrun.log.1# 2102 05-31-2015 10:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/398K_38.Equil.mdp 277632 05-31-2015 16:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/398K_38.confout.gro 56876 05-31-2015 16:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/398K_38.edr 9791 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/398K_38.top 246508 05-31-2015 16:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/398K_38.tpr 14780820 05-31-2015 16:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/398K_38.trr 375 05-31-2015 16:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/cgPEO_398K_38_Equil.o4030144 41672 05-31-2015 16:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/grompp.log 64662 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/index.ndx 10385 05-31-2015 16:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/mdout-398K_38.mdp 35316 05-31-2015 16:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/mdrun.log 10601 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/mol_types_398K_38.itp 233 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/run_gmx.sh 331824 05-31-2015 16:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/state.cpt 389098 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/table.xvg 58365 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/table_C_C.xvg 58605 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/table_C_Na.xvg 58328 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/table_C_S.xvg 58319 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/table_Na_Na.xvg 58693 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/table_S_Na.xvg 58297 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/table_S_S.xvg 10100 05-31-2015 11:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Equil/table_b0.xvg 0 06-01-2015 15:00 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/ 7556 06-01-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/#mdrun.log.1# 277632 06-01-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/398K_38.confout.gro 5541476 06-01-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/398K_38.edr 2106 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/398K_38.mdp 9791 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/398K_38.top 246508 06-01-2015 07:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/398K_38.tpr 1449389820 06-01-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/398K_38.trr 295643 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/Rg.xvg 14784 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/Rg_index.ndx 1330 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/bonds.xvg 894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/calc_Rg.sh 1894 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/calc_dist.sh 375 06-01-2015 07:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/cgPEO_398K_38_Prodrun.o4031289 6266 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/cgPEO_calcRg.o4032307 46428 06-01-2015 15:00 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/cgPEO_calcdist.o4032306 94019 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/distance.xvg 41739 06-01-2015 07:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/grompp.log 64662 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/index.ndx 10381 06-01-2015 07:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/mdout-398K_38.mdp 1813003 06-01-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/mdrun.log 10601 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/mol_types_398K_38.itp 235 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/qsub_xv_calcdist.sh 31990 06-01-2015 14:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/rdf_C-C.xvg 31991 06-01-2015 14:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/rdf_C-Na.xvg 31992 06-01-2015 14:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/rdf_C-S.xvg 31991 06-01-2015 15:00 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/rdf_Na-Na.xvg 31990 06-01-2015 14:57 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/rdf_S-Na.xvg 31991 06-01-2015 14:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/run_gmx.sh 331824 06-01-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/state.cpt 331824 06-01-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/state_prev.cpt 389098 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/table.xvg 58365 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/table_C_C.xvg 58605 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/table_C_S.xvg 58319 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/table_S_S.xvg 10100 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_38/Prod_run/table_b0.xvg 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/ 0 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/ 5796 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/#mdrun.log.1# 196876 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/398K_50.1frame.gro 196875 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/398K_50.Emin.gro 2116 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/398K_50.Emin.mdp 157396 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/398K_50.edr 9790 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/398K_50.top 264676 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/398K_50.tpr 210116 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/398K_50.trr 37 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/cgPEO_398K_50_Emin.o4030121 41590 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/grompp.log 68220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/index.ndx 10400 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/mdout-398K_50.mdp 126333 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/mol_types_398K_50.itp 231 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/run_gmx.sh 389098 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/table.xvg 58365 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/table_C_C.xvg 58605 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/table_C_Na.xvg 58328 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/table_C_S.xvg 58319 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/table_Na_Na.xvg 58693 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/table_S_Na.xvg 58297 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/table_S_S.xvg 10100 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Emin/table_b0.xvg 0 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/ 7399 05-31-2015 16:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/#mdrun.log.1# 2102 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/398K_50.Equil.mdp 301851 05-31-2015 16:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/398K_50.confout.gro 56876 05-31-2015 16:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/398K_50.edr 9790 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/398K_50.top 264676 05-31-2015 16:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/398K_50.tpr 16069692 05-31-2015 16:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/398K_50.trr 375 05-31-2015 16:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/cgPEO_398K_50_Equil.o4030143 41697 05-31-2015 16:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/grompp.log 68220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/index.ndx 10384 05-31-2015 16:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/mdout-398K_50.mdp 35260 05-31-2015 16:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/mol_types_398K_50.itp 233 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/run_gmx.sh 357096 05-31-2015 16:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/state.cpt 357096 05-31-2015 16:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/state_prev.cpt 389098 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/table.xvg 58365 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/table_C_C.xvg 58605 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/table_C_Na.xvg 58328 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/table_C_S.xvg 58319 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/table_Na_Na.xvg 58693 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/table_S_Na.xvg 58297 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/table_S_S.xvg 10100 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Equil/table_b0.xvg 0 06-01-2015 15:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/ 7546 06-01-2015 10:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/#mdrun.log.1# 301851 06-01-2015 10:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/398K_50.confout.gro 5541476 06-01-2015 10:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/398K_50.edr 2106 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/398K_50.mdp 9790 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/398K_50.top 264676 06-01-2015 07:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/398K_50.tpr 1575775092 06-01-2015 10:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/398K_50.trr 295656 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/Rg.xvg 14784 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/Rg_index.ndx 1330 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/bonds.xvg 894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/calc_Rg.sh 1894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/calc_dist.sh 375 06-01-2015 07:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/cgPEO_398K_50_Prodrun.o4031288 6274 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/cgPEO_calcRg.o4032305 46376 06-01-2015 15:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/cgPEO_calcdist.o4032304 94019 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/distance.xvg 41697 06-01-2015 07:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/grompp.log 68220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/index.ndx 10380 06-01-2015 07:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/mdout-398K_50.mdp 1812997 06-01-2015 10:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/mol_types_398K_50.itp 235 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/qsub_xv_calcdist.sh 32100 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/rdf_C-C.xvg 32101 06-01-2015 14:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/rdf_C-Na.xvg 32101 06-01-2015 14:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/rdf_C-S.xvg 32099 06-01-2015 15:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/rdf_Na-Na.xvg 32099 06-01-2015 14:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/rdf_S-Na.xvg 32100 06-01-2015 14:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/run_gmx.sh 357096 06-01-2015 10:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/state.cpt 357096 06-01-2015 10:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/state_prev.cpt 389098 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/table.xvg 58365 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/table_C_C.xvg 58605 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/table_C_S.xvg 58319 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/table_S_S.xvg 10100 06-01-2015 04:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_50/Prod_run/table_b0.xvg 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/ 0 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/ 5787 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/#mdrun.log.1# 213886 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/398K_63.1frame.gro 213885 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/398K_63.Emin.gro 2116 05-31-2015 10:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/398K_63.Emin.mdp 216796 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/398K_63.edr 9791 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/398K_63.top 284452 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/398K_63.tpr 228260 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/398K_63.trr 37 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/cgPEO_398K_63_Emin.o4030120 41622 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/grompp.log 72050 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/index.ndx 10401 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/mdout-398K_63.mdp 170104 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/mdrun.log 10602 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/mol_types_398K_63.itp 231 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/run_gmx.sh 389098 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/table.xvg 58365 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/table_C_C.xvg 58605 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/table_C_Na.xvg 58328 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/table_C_S.xvg 58319 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/table_Na_Na.xvg 58693 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/table_S_Na.xvg 58297 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/table_S_S.xvg 10100 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Emin/table_b0.xvg 0 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/ 7416 05-31-2015 16:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/#mdrun.log.1# 2102 05-31-2015 10:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/398K_63.Equil.mdp 327933 05-31-2015 16:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/398K_63.confout.gro 56876 05-31-2015 16:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/398K_63.edr 9791 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/398K_63.top 284452 05-31-2015 15:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/398K_63.tpr 17457708 05-31-2015 16:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/398K_63.trr 375 05-31-2015 15:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/cgPEO_398K_63_Equil.o4030142 41698 05-31-2015 15:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/grompp.log 72050 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/index.ndx 10385 05-31-2015 15:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/mdout-398K_63.mdp 35262 05-31-2015 16:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/mdrun.log 10602 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/mol_types_398K_63.itp 233 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/run_gmx.sh 384312 05-31-2015 16:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/state.cpt 384312 05-31-2015 16:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/state_prev.cpt 389098 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/table.xvg 58365 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/table_C_C.xvg 58605 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/table_C_Na.xvg 58328 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/table_C_S.xvg 58319 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/table_Na_Na.xvg 58693 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/table_S_Na.xvg 58297 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/table_S_S.xvg 10100 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Equil/table_b0.xvg 0 06-01-2015 15:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/ 7538 06-01-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/#mdrun.log.1# 327933 06-01-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/398K_63.confout.gro 5541476 06-01-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/398K_63.edr 2105 05-31-2015 10:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/398K_63.mdp 9791 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/398K_63.top 284452 06-01-2015 07:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/398K_63.tpr --------- ------- 4430193375 281 files ===================================================== Content of ZIP archive 09.23.14-072.zip ===================================================== Archive: 09.23.14-072.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 06-01-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/398K_63.trr 295641 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/Rg.xvg 14784 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/Rg_index.ndx 1330 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/bonds.xvg 894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/calc_Rg.sh 1894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/calc_dist.sh 375 06-01-2015 07:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/cgPEO_398K_63_Prodrun.o4031287 6263 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/cgPEO_calcRg.o4032303 46406 06-01-2015 15:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/cgPEO_calcdist.o4032302 94019 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/distance.xvg 41703 06-01-2015 07:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/grompp.log 72050 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/index.ndx 10381 06-01-2015 07:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/mdout-398K_63.mdp 1813127 06-01-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/mdrun.log 10602 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/mol_types_398K_63.itp 235 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/qsub_xv_calcdist.sh 32013 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/rdf_C-C.xvg 32013 06-01-2015 14:46 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/rdf_C-Na.xvg 32012 06-01-2015 14:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/rdf_C-S.xvg 32012 06-01-2015 15:08 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/rdf_Na-Na.xvg 32013 06-01-2015 15:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/rdf_S-Na.xvg 32014 06-01-2015 14:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/run_gmx.sh 384312 06-01-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/state.cpt 384312 06-01-2015 10:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/state_prev.cpt 389098 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/table.xvg 58365 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/table_C_C.xvg 58605 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/table_C_S.xvg 58319 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/table_S_S.xvg 10100 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_63/Prod_run/table_b0.xvg 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/ 0 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/ 6103 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/#mdrun.log.1# 229682 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/398K_75.1frame.gro 229680 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/398K_75.Emin.gro 2116 05-31-2015 10:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/398K_75.Emin.mdp 247288 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/398K_75.edr 9791 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/398K_75.top 302548 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/398K_75.tpr 245108 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/398K_75.trr 104 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/cgPEO_398K_75_Emin.o4030119 41582 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/grompp.log 75606 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/index.ndx 10400 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/mdout-398K_75.mdp 194493 05-31-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/mdrun.log 10603 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/mol_types_398K_75.itp 231 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/qsub_cgsim_Emin.sh 2101 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/run_gmx.sh 389098 05-31-2015 10:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/table.xvg 58365 05-31-2015 10:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/table_C_C.xvg 58605 05-31-2015 10:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/table_C_Na.xvg 58328 05-31-2015 10:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/table_C_S.xvg 58319 05-31-2015 10:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/table_Na_Na.xvg 58693 05-31-2015 10:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/table_S_Na.xvg 58297 05-31-2015 10:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/table_S_S.xvg 10100 05-31-2015 10:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Emin/table_b0.xvg 0 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/ 7517 05-31-2015 15:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/#mdrun.log.1# 2102 05-31-2015 10:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/398K_75.Equil.mdp 352152 05-31-2015 15:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/398K_75.confout.gro 56876 05-31-2015 15:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/398K_75.edr 9791 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/398K_75.top 302548 05-31-2015 15:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/398K_75.tpr 18746580 05-31-2015 15:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/398K_75.trr 375 05-31-2015 15:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/cgPEO_398K_75_Equil.o4030141 41688 05-31-2015 15:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/grompp.log 75606 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/index.ndx 10384 05-31-2015 15:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/mdout-398K_75.mdp 35384 05-31-2015 15:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/mdrun.log 10603 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/mol_types_398K_75.itp 233 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/run_gmx.sh 409584 05-31-2015 15:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/state.cpt 409584 05-31-2015 15:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/state_prev.cpt 389098 05-31-2015 11:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/table.xvg 58365 05-31-2015 11:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/table_C_C.xvg 58605 05-31-2015 11:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/table_C_Na.xvg 58328 05-31-2015 11:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/table_C_S.xvg 58319 05-31-2015 11:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/table_Na_Na.xvg 58693 05-31-2015 11:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/table_S_Na.xvg 58297 05-31-2015 11:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/table_S_S.xvg 10100 05-31-2015 11:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Equil/table_b0.xvg 0 06-01-2015 15:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/ 7443 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/#mdrun.log.1# 352152 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/398K_75.confout.gro 5541476 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/398K_75.edr 2105 05-31-2015 10:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/398K_75.mdp 9791 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/398K_75.top 302548 06-01-2015 07:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/398K_75.tpr 1838267580 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/398K_75.trr 295634 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/Rg.xvg 14784 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/Rg_index.ndx 1330 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/bonds.xvg 894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/calc_Rg.sh 1894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/calc_dist.sh 371 06-01-2015 07:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/cgPEO_398K_75_Prodrun.o4031286 6268 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/cgPEO_calcRg.o4032301 46356 06-01-2015 15:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/cgPEO_calcdist.o4032300 94019 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/distance.xvg 41676 06-01-2015 07:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/grompp.log 75606 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/index.ndx 10380 06-01-2015 07:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/mdout-398K_75.mdp 1813130 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/mdrun.log 10603 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/mol_types_398K_75.itp 235 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/qsub_xv_calcdist.sh 32144 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/rdf_C-C.xvg 32144 06-01-2015 14:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/rdf_C-Na.xvg 32144 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/rdf_C-S.xvg 32145 06-01-2015 15:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/rdf_Na-Na.xvg 32144 06-01-2015 15:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/rdf_S-Na.xvg 32144 06-01-2015 14:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/run_gmx.sh 409584 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/state.cpt 409584 06-01-2015 10:37 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/state_prev.cpt 389098 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/table.xvg 58365 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/table_C_C.xvg 58605 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/table_C_S.xvg 58319 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/table_S_S.xvg 10100 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_75/Prod_run/table_b0.xvg 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/ 0 05-31-2015 11:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/ 6124 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/#mdrun.log.1# 240616 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/398K_83.1frame.gro 240615 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/398K_83.Emin.gro 2116 05-31-2015 10:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/398K_83.Emin.mdp 208084 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/398K_83.edr 9792 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/398K_83.top 315028 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/398K_83.tpr 256772 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/398K_83.trr 104 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/cgPEO_398K_83_Emin.o4030118 41593 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/grompp.log 78069 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/index.ndx 10401 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/mdout-398K_83.mdp 165643 05-31-2015 10:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/mol_types_398K_83.itp 231 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/qsub_cgsim_Emin.sh 2101 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/run_gmx.sh 389098 05-31-2015 10:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/table.xvg 58365 05-31-2015 10:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/table_C_C.xvg 58605 05-31-2015 10:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/table_C_Na.xvg 58328 05-31-2015 10:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/table_C_S.xvg 58319 05-31-2015 10:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/table_Na_Na.xvg 58693 05-31-2015 10:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/table_S_Na.xvg 58297 05-31-2015 10:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/table_S_S.xvg 10100 05-31-2015 10:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Emin/table_b0.xvg 0 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/ 7417 05-31-2015 15:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/#mdrun.log.1# 2102 05-31-2015 10:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/398K_83.Equil.mdp 368919 05-31-2015 15:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/398K_83.confout.gro 56876 05-31-2015 15:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/398K_83.edr 9792 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/398K_83.top 315028 05-31-2015 15:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/398K_83.tpr 19638876 05-31-2015 15:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/398K_83.trr 375 05-31-2015 15:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/cgPEO_398K_83_Equil.o4030140 41703 05-31-2015 15:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/grompp.log 78069 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/index.ndx 10385 05-31-2015 15:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/mdout-398K_83.mdp 35270 05-31-2015 15:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/mol_types_398K_83.itp 233 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/run_gmx.sh 427080 05-31-2015 15:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/state.cpt 427080 05-31-2015 15:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/state_prev.cpt 389098 05-31-2015 11:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/table.xvg 58365 05-31-2015 11:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/table_C_C.xvg 58605 05-31-2015 11:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/table_C_Na.xvg 58328 05-31-2015 11:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/table_C_S.xvg 58319 05-31-2015 11:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/table_Na_Na.xvg 58693 05-31-2015 11:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/table_S_Na.xvg 58297 05-31-2015 11:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/table_S_S.xvg 10100 05-31-2015 11:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Equil/table_b0.xvg 0 06-01-2015 15:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/ 7444 06-01-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/#mdrun.log.1# 368919 06-01-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/398K_83.confout.gro 5541476 06-01-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/398K_83.edr 2104 05-31-2015 10:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/398K_83.mdp 9792 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/398K_83.top 315028 06-01-2015 07:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/398K_83.tpr --------- ------- 3619010097 188 files ===================================================== Content of ZIP archive 09.23.14-073.zip ===================================================== Archive: 09.23.14-073.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 06-01-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/398K_83.trr 295634 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/Rg.xvg 14784 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/Rg_index.ndx 1330 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/bonds.xvg 894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/calc_Rg.sh 1894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/calc_dist.sh 375 06-01-2015 07:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/cgPEO_398K_83_Prodrun.o4031285 6265 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/cgPEO_calcRg.o4032299 46411 06-01-2015 15:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/cgPEO_calcdist.o4032298 94019 06-01-2015 14:35 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/distance.xvg 41690 06-01-2015 07:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/grompp.log 78069 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/index.ndx 10381 06-01-2015 07:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/mdout-398K_83.mdp 1813191 06-01-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/mol_types_398K_83.itp 235 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/qsub_xv_calcdist.sh 32186 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/rdf_C-C.xvg 32189 06-01-2015 14:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/rdf_C-Na.xvg 32189 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/rdf_C-S.xvg 32188 06-01-2015 15:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/rdf_Na-Na.xvg 32188 06-01-2015 15:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/rdf_S-Na.xvg 32190 06-01-2015 14:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/run_gmx.sh 427080 06-01-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/state.cpt 427080 06-01-2015 10:48 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/state_prev.cpt 389098 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/table.xvg 58365 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/table_C_C.xvg 58605 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/table_C_S.xvg 58319 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/table_S_S.xvg 10100 06-01-2015 04:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_398K_83/Prod_run/table_b0.xvg 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/ 0 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/ 6115 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/#mdrun.log.1# 262487 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/423K_100.1frame.gro 262485 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/423K_100.Emin.gro 2100 05-31-2015 10:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/423K_100.Emin.mdp 186640 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/423K_100.edr 1391 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/423K_100.top 306228 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/423K_100.tpr 280100 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/423K_100.trr 104 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/cgPEO_423K_100_Emin.o4030103 3262 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/grompp.log 82987 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/index.ndx 10387 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/mdout-423K_100.mdp 168367 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/mdrun.log 544 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/mol_types_423K_100.itp 232 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/qsub_cgsim_Emin.sh 2102 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/run_gmx.sh 389098 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/table.xvg 58365 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/table_C_C.xvg 58605 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/table_C_Na.xvg 58328 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/table_C_S.xvg 58319 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/table_Na_Na.xvg 58693 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/table_S_Na.xvg 58297 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/table_S_S.xvg 10100 05-31-2015 10:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Emin/table_b0.xvg 0 06-01-2015 04:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/ 7521 05-31-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/#mdrun.log.1# 2087 05-31-2015 10:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/423K_100.Equil.mdp 402453 05-31-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/423K_100.confout.gro 49460 05-31-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/423K_100.edr 1391 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/423K_100.top 306228 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/423K_100.tpr 21423468 05-31-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/423K_100.trr 375 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/cgPEO_423K_100_Equil.o4030104 3353 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/grompp.log 82987 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/index.ndx 10371 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/mdout-423K_100.mdp 34773 05-31-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/mdrun.log 544 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/mol_types_423K_100.itp 234 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/qsub_cgsim_Equil.sh 2112 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/run_gmx.sh 461928 05-31-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/state.cpt 461928 05-31-2015 10:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/state_prev.cpt 389098 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/table.xvg 58365 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/table_C_C.xvg 58605 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/table_C_Na.xvg 58328 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/table_C_S.xvg 58319 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/table_Na_Na.xvg 58693 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/table_S_Na.xvg 58297 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/table_S_S.xvg 10100 05-31-2015 10:12 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Equil/table_b0.xvg 0 06-01-2015 15:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/ 7604 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/#mdrun.log.1# 402453 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/423K_100.confout.gro 4821260 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/423K_100.edr 2090 05-31-2015 10:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/423K_100.mdp 1391 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/423K_100.top 306228 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/423K_100.tpr 2100760068 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/423K_100.trr 295643 06-01-2015 14:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/Rg.xvg 14784 05-28-2015 08:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/Rg_index.ndx 1330 06-01-2015 14:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/bonds.xvg 895 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/calc_Rg.sh 1907 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/calc_dist.sh 375 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/cgPEO_398K_100_Prodrun.o4031277 6373 06-01-2015 14:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/cgPEO_calcRg.o4032283 25723 06-01-2015 15:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/cgPEO_calcdist.o4032282 94019 06-01-2015 14:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/distance.xvg 3388 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/grompp.log 82987 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/index.ndx 10367 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/mdout-423K_100.mdp 1812773 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/mdrun.log 544 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/mol_types_423K_100.itp 236 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/qsub_xv_calcdist.sh 32409 06-01-2015 15:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/rdf_Na-Na.xvg 32410 06-01-2015 15:05 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/rdf_S-Na.xvg 32410 06-01-2015 14:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/rdf_S-S.xvg 2110 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/run_gmx.sh 461928 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/state.cpt 461928 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/state_prev.cpt 389098 06-01-2015 04:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/table.xvg 58365 06-01-2015 04:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/table_C_C.xvg 58605 06-01-2015 04:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/table_C_S.xvg 58319 06-01-2015 04:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/table_S_S.xvg 10100 06-01-2015 04:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_100/Prod_run/table_b0.xvg 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/ 0 05-31-2015 10:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/ 5797 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/#mdrun.log.1# 164067 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/423K_25.1frame.gro 164070 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/423K_25.Emin.gro 2117 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/423K_25.Emin.mdp 77800 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/423K_25.edr 9790 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/423K_25.top 226728 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/423K_25.tpr 175124 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/423K_25.trr 37 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/cgPEO_423K_25_Emin.o4030115 41592 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/grompp.log 60831 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/index.ndx 10400 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/mdout-423K_25.mdp 67728 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/mol_types_423K_25.itp 231 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/run_gmx.sh 389098 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/table.xvg 58365 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/table_C_C.xvg 58605 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/table_C_Na.xvg 58328 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/table_C_S.xvg 58319 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/table_Na_Na.xvg 58693 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/table_S_Na.xvg 58297 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/table_S_S.xvg 10100 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Emin/table_b0.xvg 0 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/ 7443 05-31-2015 12:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/#mdrun.log.1# 2102 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/423K_25.Equil.mdp 251550 05-31-2015 12:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/423K_25.confout.gro 56876 05-31-2015 12:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/423K_25.edr 9790 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/423K_25.top 226728 05-31-2015 11:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/423K_25.tpr 13392804 05-31-2015 12:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/423K_25.trr 375 05-31-2015 11:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/cgPEO_423K_25_Equil.o4030116 41694 05-31-2015 11:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/grompp.log 60831 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/index.ndx 10384 05-31-2015 11:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/mdout-423K_25.mdp 35202 05-31-2015 12:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/mol_types_423K_25.itp 233 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/run_gmx.sh 304608 05-31-2015 12:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/state.cpt 389098 05-31-2015 10:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/table.xvg 58365 05-31-2015 10:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/table_C_C.xvg 58605 05-31-2015 10:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/table_C_Na.xvg 58328 05-31-2015 10:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/table_C_S.xvg 58319 05-31-2015 10:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/table_Na_Na.xvg 58693 05-31-2015 10:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/table_S_Na.xvg 58297 05-31-2015 10:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/table_S_S.xvg 10100 05-31-2015 10:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Equil/table_b0.xvg 0 06-01-2015 14:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/ 7517 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/#mdrun.log.1# 251550 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/423K_25.confout.gro 5541476 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/423K_25.edr 2106 05-31-2015 10:26 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/423K_25.mdp 9790 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/423K_25.top 226728 06-01-2015 06:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/423K_25.tpr --------- ------- 4089703871 184 files ===================================================== Content of ZIP archive 09.23.14-074.zip ===================================================== Archive: 09.23.14-074.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/423K_25.trr 295648 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/Rg.xvg 14784 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/Rg_index.ndx 1330 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/bonds.xvg 894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/calc_Rg.sh 1894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/calc_dist.sh 375 06-01-2015 06:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/cgPEO_423K_25_Prodrun.o4031283 6269 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/cgPEO_calcRg.o4032295 46363 06-01-2015 14:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/cgPEO_calcdist.o4032294 94019 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/distance.xvg 41691 06-01-2015 06:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/grompp.log 60831 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/index.ndx 10380 06-01-2015 06:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/mdout-423K_25.mdp 1812929 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/mol_types_423K_25.itp 235 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/qsub_xv_calcdist.sh 31574 06-01-2015 14:43 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/rdf_C-C.xvg 31572 06-01-2015 14:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/rdf_C-Na.xvg 31574 06-01-2015 14:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/rdf_C-S.xvg 31570 06-01-2015 14:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/rdf_Na-Na.xvg 31570 06-01-2015 14:53 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/rdf_S-Na.xvg 31572 06-01-2015 14:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/run_gmx.sh 304608 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/state.cpt 304608 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/state_prev.cpt 389098 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/table.xvg 58365 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/table_C_C.xvg 58605 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/table_C_S.xvg 58319 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/table_S_S.xvg 10100 06-01-2015 04:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_25/Prod_run/table_b0.xvg 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/ 0 05-31-2015 10:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/ 5816 05-31-2015 10:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/#mdrun.log.1# 181082 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/423K_38.1frame.gro 181080 05-31-2015 10:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/423K_38.Emin.gro 2117 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/423K_38.Emin.mdp 629032 05-31-2015 10:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/423K_38.edr 9789 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/423K_38.top 246508 05-31-2015 10:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/423K_38.tpr 193268 05-31-2015 10:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/423K_38.trr 37 05-31-2015 10:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/cgPEO_423K_38_Emin.o4030113 41604 05-31-2015 10:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/grompp.log 64662 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/index.ndx 10401 05-31-2015 10:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/mdout-423K_38.mdp 473539 05-31-2015 10:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/mdrun.log 10601 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/mol_types_423K_38.itp 231 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/run_gmx.sh 389098 05-31-2015 10:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/table.xvg 58365 05-31-2015 10:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/table_C_C.xvg 58605 05-31-2015 10:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/table_C_Na.xvg 58328 05-31-2015 10:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/table_C_S.xvg 58319 05-31-2015 10:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/table_Na_Na.xvg 58693 05-31-2015 10:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/table_S_Na.xvg 58297 05-31-2015 10:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/table_S_S.xvg 10100 05-31-2015 10:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Emin/table_b0.xvg 0 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/ 7516 05-31-2015 11:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/#mdrun.log.1# 2103 05-31-2015 10:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/423K_38.Equil.mdp 277632 05-31-2015 11:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/423K_38.confout.gro 56876 05-31-2015 11:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/423K_38.edr 9789 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/423K_38.top 246508 05-31-2015 11:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/423K_38.tpr 14780820 05-31-2015 11:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/423K_38.trr 375 05-31-2015 11:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/cgPEO_423K_38_Equil.o4030114 41732 05-31-2015 11:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/grompp.log 64662 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/index.ndx 10385 05-31-2015 11:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/mdout-423K_38.mdp 35315 05-31-2015 11:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/mdrun.log 10601 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/mol_types_423K_38.itp 233 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/run_gmx.sh 331824 05-31-2015 11:54 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/state.cpt 389098 05-31-2015 10:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/table.xvg 58365 05-31-2015 10:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/table_C_C.xvg 58605 05-31-2015 10:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/table_C_Na.xvg 58328 05-31-2015 10:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/table_C_S.xvg 58319 05-31-2015 10:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/table_Na_Na.xvg 58693 05-31-2015 10:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/table_S_Na.xvg 58297 05-31-2015 10:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/table_S_S.xvg 10100 05-31-2015 10:25 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Equil/table_b0.xvg 0 06-01-2015 14:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/ 7519 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/#mdrun.log.1# 277632 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/423K_38.confout.gro 5541476 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/423K_38.edr 2106 05-31-2015 10:23 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/423K_38.mdp 9789 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/423K_38.top 246508 06-01-2015 05:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/423K_38.tpr 1449389820 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/423K_38.trr 295642 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/Rg.xvg 14784 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/Rg_index.ndx 1330 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/bonds.xvg 894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/calc_Rg.sh 1894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/calc_dist.sh 369 06-01-2015 05:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/cgPEO_423K_38_Prodrun.o4031282 6288 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/cgPEO_calcRg.o4032293 46369 06-01-2015 14:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/cgPEO_calcdist.o4032292 94019 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/distance.xvg 41690 06-01-2015 05:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/grompp.log 64662 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/index.ndx 10381 06-01-2015 05:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/mdout-423K_38.mdp 1813064 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/mdrun.log 10601 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/mol_types_423K_38.itp 235 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/qsub_xv_calcdist.sh 32079 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/rdf_C-C.xvg 32080 06-01-2015 14:49 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/rdf_C-Na.xvg 32080 06-01-2015 14:45 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/rdf_C-S.xvg 32078 06-01-2015 14:58 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/rdf_Na-Na.xvg 32077 06-01-2015 14:55 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/rdf_S-Na.xvg 32077 06-01-2015 14:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/run_gmx.sh 331824 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/state.cpt 331824 06-01-2015 08:31 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/state_prev.cpt 389098 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/table.xvg 58365 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/table_C_C.xvg 58605 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/table_C_S.xvg 58319 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/table_S_S.xvg 10100 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_38/Prod_run/table_b0.xvg 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/ 0 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/ 5811 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/#mdrun.log.1# 196876 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/423K_50.1frame.gro 196875 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/423K_50.Emin.gro 2116 05-31-2015 10:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/423K_50.Emin.mdp 275800 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/423K_50.edr 9790 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/423K_50.top 264676 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/423K_50.tpr 210116 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/423K_50.trr 38 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/cgPEO_423K_50_Emin.o4030111 41632 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/grompp.log 68220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/index.ndx 10400 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/mdout-423K_50.mdp 213520 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/mol_types_423K_50.itp 231 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/run_gmx.sh 389098 05-31-2015 10:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/table.xvg 58365 05-31-2015 10:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/table_C_C.xvg 58605 05-31-2015 10:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/table_C_Na.xvg 58328 05-31-2015 10:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/table_C_S.xvg 58319 05-31-2015 10:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/table_Na_Na.xvg 58693 05-31-2015 10:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/table_S_Na.xvg 58297 05-31-2015 10:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/table_S_S.xvg 10100 05-31-2015 10:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Emin/table_b0.xvg 0 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/ 7539 05-31-2015 11:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/#mdrun.log.1# 2102 05-31-2015 10:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/423K_50.Equil.mdp 301851 05-31-2015 11:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/423K_50.confout.gro 56876 05-31-2015 11:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/423K_50.edr 9790 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/423K_50.top 264676 05-31-2015 11:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/423K_50.tpr 16069692 05-31-2015 11:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/423K_50.trr 375 05-31-2015 11:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/cgPEO_423K_50_Equil.o4030112 41721 05-31-2015 11:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/grompp.log 68220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/index.ndx 10384 05-31-2015 11:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/mdout-423K_50.mdp 35383 05-31-2015 11:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/mol_types_423K_50.itp 233 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/run_gmx.sh 357096 05-31-2015 11:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/state.cpt 357096 05-31-2015 11:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/state_prev.cpt 389098 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/table.xvg 58365 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/table_C_C.xvg 58605 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/table_C_Na.xvg 58328 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/table_C_S.xvg 58319 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/table_Na_Na.xvg 58693 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/table_S_Na.xvg 58297 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/table_S_S.xvg 10100 05-31-2015 10:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Equil/table_b0.xvg 0 06-01-2015 15:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/ 7529 06-01-2015 08:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/#mdrun.log.1# 301851 06-01-2015 08:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/423K_50.confout.gro 5541476 06-01-2015 08:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/423K_50.edr 2104 05-31-2015 10:21 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/423K_50.mdp 9790 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/423K_50.top 264676 06-01-2015 05:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/423K_50.tpr 1575775092 06-01-2015 08:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/423K_50.trr 295655 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/Rg.xvg 14784 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/Rg_index.ndx 1330 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/bonds.xvg 894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/calc_Rg.sh 1894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/calc_dist.sh 375 06-01-2015 05:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/cgPEO_423K_50_Prodrun.o4031281 6281 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/cgPEO_calcRg.o4032291 46420 06-01-2015 15:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/cgPEO_calcdist.o4032290 94019 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/distance.xvg 41693 06-01-2015 05:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/grompp.log 68220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/index.ndx 10380 06-01-2015 05:30 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/mdout-423K_50.mdp 1813049 06-01-2015 08:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/mol_types_423K_50.itp 235 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/qsub_xv_calcdist.sh 32210 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/rdf_C-C.xvg 32210 06-01-2015 14:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/rdf_C-Na.xvg 32211 06-01-2015 14:42 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/rdf_C-S.xvg 32210 06-01-2015 15:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/rdf_Na-Na.xvg 32209 06-01-2015 14:56 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/rdf_S-Na.xvg 32211 06-01-2015 14:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/run_gmx.sh 357096 06-01-2015 08:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/state.cpt 357096 06-01-2015 08:24 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/state_prev.cpt 389098 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/table.xvg 58365 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/table_C_C.xvg 58605 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/table_C_S.xvg 58319 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/table_S_S.xvg 10100 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_50/Prod_run/table_b0.xvg 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/ 0 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/ 5776 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/#mdrun.log.1# 213886 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/423K_63.1frame.gro 213885 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/423K_63.Emin.gro 2115 05-31-2015 10:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/423K_63.Emin.mdp 143140 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/423K_63.edr 9788 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/423K_63.top 284452 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/423K_63.tpr 228260 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/423K_63.trr 38 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/cgPEO_423K_63_Emin.o4030109 41621 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/grompp.log 72050 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/index.ndx 10401 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/mdout-423K_63.mdp 115786 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/mdrun.log 10602 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/mol_types_423K_63.itp 231 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/run_gmx.sh 389098 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/table.xvg 58365 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/table_C_C.xvg 58605 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/table_C_Na.xvg 58328 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/table_C_S.xvg 58319 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/table_Na_Na.xvg 58693 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/table_S_Na.xvg 58297 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/table_S_S.xvg 10100 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Emin/table_b0.xvg 0 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/ 7535 05-31-2015 11:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/#mdrun.log.1# 2102 05-31-2015 10:18 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/423K_63.Equil.mdp 327933 05-31-2015 11:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/423K_63.confout.gro 56876 05-31-2015 11:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/423K_63.edr 9788 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/423K_63.top 284452 05-31-2015 11:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/423K_63.tpr 17457708 05-31-2015 11:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/423K_63.trr 375 05-31-2015 11:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/cgPEO_423K_63_Equil.o4030110 41706 05-31-2015 11:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/grompp.log 72050 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/index.ndx 10385 05-31-2015 11:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/mdout-423K_63.mdp 35369 05-31-2015 11:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/mdrun.log 10602 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/mol_types_423K_63.itp 233 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/run_gmx.sh 384312 05-31-2015 11:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/state.cpt 384312 05-31-2015 11:22 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/state_prev.cpt 389098 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/table.xvg 58365 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/table_C_C.xvg 58605 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/table_C_Na.xvg 58328 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/table_C_S.xvg 58319 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/table_Na_Na.xvg 58693 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/table_S_Na.xvg 58297 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/table_S_S.xvg 10100 05-31-2015 10:20 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Equil/table_b0.xvg 0 06-01-2015 15:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/ 7571 06-01-2015 08:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/#mdrun.log.1# 327933 06-01-2015 08:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/423K_63.confout.gro 5541476 06-01-2015 08:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/423K_63.edr 2104 05-31-2015 10:19 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/423K_63.mdp 9788 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/423K_63.top 284452 06-01-2015 05:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/423K_63.tpr --------- ------- 4430834610 281 files ===================================================== Content of ZIP archive 09.23.14-075.zip ===================================================== Archive: 09.23.14-075.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 06-01-2015 08:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/423K_63.trr 295660 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/Rg.xvg 14784 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/Rg_index.ndx 1330 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/bonds.xvg 894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/calc_Rg.sh 1894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/calc_dist.sh 375 06-01-2015 05:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/cgPEO_423K_63_Prodrun.o4031280 6310 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/cgPEO_calcRg.o4032289 46439 06-01-2015 15:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/cgPEO_calcdist.o4032288 94019 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/distance.xvg 41672 06-01-2015 05:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/grompp.log 72050 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/index.ndx 10381 06-01-2015 05:10 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/mdout-423K_63.mdp 1813183 06-01-2015 08:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/mdrun.log 10602 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/mol_types_423K_63.itp 235 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/qsub_xv_calcdist.sh 32299 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/rdf_C-C.xvg 32298 06-01-2015 14:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/rdf_C-Na.xvg 32297 06-01-2015 14:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/rdf_C-S.xvg 32298 06-01-2015 15:06 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/rdf_Na-Na.xvg 32298 06-01-2015 14:59 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/rdf_S-Na.xvg 32298 06-01-2015 14:52 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/run_gmx.sh 384312 06-01-2015 08:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/state.cpt 384312 06-01-2015 08:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/state_prev.cpt 389098 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/table.xvg 58365 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/table_C_C.xvg 58605 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/table_C_S.xvg 58319 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/table_S_S.xvg 10100 06-01-2015 04:29 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_63/Prod_run/table_b0.xvg 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/ 0 05-31-2015 10:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/ 5783 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/#mdrun.log.1# 229682 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/423K_75.1frame.gro 229680 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/423K_75.Emin.gro 2115 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/423K_75.Emin.mdp 102748 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/423K_75.edr 9791 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/423K_75.top 302548 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/423K_75.tpr 245108 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/423K_75.trr 38 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/cgPEO_423K_75_Emin.o4030107 41593 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/grompp.log 75606 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/index.ndx 10400 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/mdout-423K_75.mdp 86137 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/mdrun.log 10603 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/mol_types_423K_75.itp 231 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/run_gmx.sh 389098 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/table.xvg 58365 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/table_C_C.xvg 58605 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/table_C_Na.xvg 58328 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/table_C_S.xvg 58319 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/table_Na_Na.xvg 58693 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/table_S_Na.xvg 58297 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/table_S_S.xvg 10100 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Emin/table_b0.xvg 0 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/ 7401 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/#mdrun.log.1# 2101 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/423K_75.Equil.mdp 352152 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/423K_75.confout.gro 56876 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/423K_75.edr 9791 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/423K_75.top 302548 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/423K_75.tpr 18746580 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/423K_75.trr 375 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/cgPEO_423K_75_Equil.o4030108 41710 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/grompp.log 75606 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/index.ndx 10384 05-31-2015 10:47 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/mdout-423K_75.mdp 35259 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/mdrun.log 10603 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/mol_types_423K_75.itp 233 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/run_gmx.sh 409584 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/state.cpt 409584 05-31-2015 11:07 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/state_prev.cpt 389098 05-31-2015 10:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/table.xvg 58365 05-31-2015 10:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/table_C_C.xvg 58605 05-31-2015 10:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/table_C_Na.xvg 58328 05-31-2015 10:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/table_C_S.xvg 58319 05-31-2015 10:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/table_Na_Na.xvg 58693 05-31-2015 10:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/table_S_Na.xvg 58297 05-31-2015 10:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/table_S_S.xvg 10100 05-31-2015 10:17 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Equil/table_b0.xvg 0 06-01-2015 15:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/ 7552 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/#mdrun.log.1# 352152 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/423K_75.confout.gro 5541476 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/423K_75.edr 2104 05-31-2015 10:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/423K_75.mdp 9791 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/423K_75.top 302548 06-01-2015 05:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/423K_75.tpr 1838267580 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/423K_75.trr 295640 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/Rg.xvg 14784 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/Rg_index.ndx 1330 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/bonds.xvg 894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/calc_Rg.sh 1894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/calc_dist.sh 375 06-01-2015 05:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/cgPEO_423K_75_Prodrun.o4031279 6274 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/cgPEO_calcRg.o4032287 46342 06-01-2015 15:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/cgPEO_calcdist.o4032286 94019 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/distance.xvg 41687 06-01-2015 05:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/grompp.log 75606 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/index.ndx 10380 06-01-2015 05:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/mdout-423K_75.mdp 1813245 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/mdrun.log 10603 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/mol_types_423K_75.itp 235 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/qsub_xv_calcdist.sh 32297 06-01-2015 14:34 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/rdf_C-C.xvg 32297 06-01-2015 14:41 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/rdf_C-Na.xvg 32298 06-01-2015 14:38 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/rdf_C-S.xvg 32299 06-01-2015 15:11 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/rdf_Na-Na.xvg 32296 06-01-2015 15:01 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/rdf_S-Na.xvg 32298 06-01-2015 14:51 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/run_gmx.sh 409584 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/state.cpt 409584 06-01-2015 08:44 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/state_prev.cpt 389098 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/table.xvg 58365 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/table_C_C.xvg 58605 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/table_C_S.xvg 58319 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/table_S_S.xvg 10100 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_75/Prod_run/table_b0.xvg 0 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/ 0 05-31-2015 10:15 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/ 5782 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/#mdrun.log.1# 240616 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/423K_83.1frame.gro 240615 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/423K_83.Emin.gro 2115 05-31-2015 10:13 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/423K_83.Emin.mdp 237784 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/423K_83.edr 9783 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/423K_83.top 315028 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/423K_83.tpr 256772 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/423K_83.trr 38 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/cgPEO_423K_83_Emin.o4030105 41610 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/grompp.log 78069 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/index.ndx 10401 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/mdout-423K_83.mdp 185552 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/mol_types_423K_83.itp 231 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/qsub_cgsim_Emin.sh 2097 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/run_gmx.sh 389098 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/table.xvg 58365 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/table_C_C.xvg 58605 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/table_C_Na.xvg 58328 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/table_C_S.xvg 58319 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/table_Na_Na.xvg 58693 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/table_S_Na.xvg 58297 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/table_S_S.xvg 10100 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Emin/table_b0.xvg 0 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/ 7538 05-31-2015 11:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/#mdrun.log.1# 2101 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/423K_83.Equil.mdp 368919 05-31-2015 11:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/423K_83.confout.gro 56876 05-31-2015 11:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/423K_83.edr 9783 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/423K_83.top 315028 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/423K_83.tpr 19638876 05-31-2015 11:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/423K_83.trr 375 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/cgPEO_423K_83_Equil.o4030106 41711 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/grompp.log 78069 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/index.ndx 10385 05-31-2015 10:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/mdout-423K_83.mdp 35382 05-31-2015 11:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/mol_types_423K_83.itp 233 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/qsub_cgsim_Equil.sh 2111 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/run_gmx.sh 427080 05-31-2015 11:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/state.cpt 427080 05-31-2015 11:02 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/state_prev.cpt 389098 05-31-2015 10:15 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/table.xvg 58365 05-31-2015 10:15 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/table_C_C.xvg 58605 05-31-2015 10:15 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/table_C_Na.xvg 58328 05-31-2015 10:15 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/table_C_S.xvg 58319 05-31-2015 10:15 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/table_Na_Na.xvg 58693 05-31-2015 10:15 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/table_S_Na.xvg 58297 05-31-2015 10:15 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/table_S_S.xvg 10100 05-31-2015 10:15 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Equil/table_b0.xvg 0 06-01-2015 15:16 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/ 7588 06-01-2015 08:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/#mdrun.log.1# 368919 06-01-2015 08:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/423K_83.confout.gro 5541476 06-01-2015 08:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/423K_83.edr 2104 05-31-2015 10:14 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/423K_83.mdp 9783 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/423K_83.top 315028 06-01-2015 04:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/423K_83.tpr --------- ------- 3618809162 188 files ===================================================== Content of ZIP archive 09.23.14-076.zip ===================================================== Archive: 09.23.14-076.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 06-01-2015 08:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/423K_83.trr 295656 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/Rg.xvg 14784 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/Rg_index.ndx 1330 06-01-2015 14:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/bonds.xvg 894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/calc_Rg.sh 1894 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/calc_dist.sh 373 06-01-2015 04:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/cgPEO_423K_83_Prodrun.o4031278 6279 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/cgPEO_calcRg.o4032285 46445 06-01-2015 15:15 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/cgPEO_calcdist.o4032284 94019 06-01-2015 14:32 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/distance.xvg 41700 06-01-2015 04:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/grompp.log 78069 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/index.ndx 10381 06-01-2015 04:40 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/mdout-423K_83.mdp 1813301 06-01-2015 08:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/mdrun.log 10604 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/mol_types_423K_83.itp 235 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/qsub_cgsim_NVT.sh 220 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/qsub_xv_calcRg.sh 229 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/qsub_xv_calcdist.sh 32363 06-01-2015 14:33 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/rdf_C-C.xvg 32364 06-01-2015 14:39 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/rdf_C-Na.xvg 32365 06-01-2015 14:36 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/rdf_C-S.xvg 32365 06-01-2015 15:15 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/rdf_Na-Na.xvg 32365 06-01-2015 15:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/rdf_S-Na.xvg 32365 06-01-2015 14:50 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/rdf_S-S.xvg 2109 05-28-2015 08:03 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/run_gmx.sh 427080 06-01-2015 08:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/state.cpt 427080 06-01-2015 08:27 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/state_prev.cpt 389098 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/table.xvg 58365 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/table_C_C.xvg 58605 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/table_C_Na.xvg 58328 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/table_C_S.xvg 58319 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/table_Na_Na.xvg 58693 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/table_S_Na.xvg 58297 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/table_S_S.xvg 10100 06-01-2015 04:28 09.23.14/CGFF/398K-423K_refxn/iter0/cgsim/cgsim_423K_83/Prod_run/table_b0.xvg 0 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/ 391 05-28-2015 05:45 09.23.14/CGFF/398K-423K_refxn/iter0/edit/copy_forces.sh 3162 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_CC.dat 3193 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_CNa.dat 3131 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_CS.dat 3193 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_NaNa.dat 3286 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_SNa.dat 3069 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_SS.dat 2108 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_bond.dat 2108 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_struct.BondStretch.total.bonds.dat 3162 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_struct.Pair_Interaction.total.CC.dat 3193 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_struct.Pair_Interaction.total.CS.dat 3193 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_struct.Pair_Interaction.total.SS.dat 3949 05-28-2015 05:45 09.23.14/CGFF/398K-423K_refxn/iter0/edit/f_zero.dat 1051 05-28-2015 05:45 09.23.14/CGFF/398K-423K_refxn/iter0/edit/run.make_gmx4_table.sh 389098 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/table.xvg 58365 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/table_C_C.xvg 58605 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/table_C_Na.xvg 58328 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/table_C_S.xvg 58319 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/table_Na_Na.xvg 58693 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/table_S_Na.xvg 58297 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/table_S_S.xvg 10100 05-31-2015 10:05 09.23.14/CGFF/398K-423K_refxn/iter0/edit/table_b0.xvg 2108 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_forces.BondStretch.total.bonds.dat 3162 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_forces.Pair_Interaction.total.CC.dat 3193 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_forces.Pair_Interaction.total.CNa.dat 3131 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_forces.Pair_Interaction.total.CS.dat 3193 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_forces.Pair_Interaction.total.SNa.dat 3069 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_forces.Pair_Interaction.total.SS.dat 2108 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_struct.BondStretch.total.bonds.dat 3162 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_struct.Pair_Interaction.total.CC.dat 3193 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_struct.Pair_Interaction.total.CNa.dat 3131 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_struct.Pair_Interaction.total.CS.dat 3193 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_struct.Pair_Interaction.total.SNa.dat 3069 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/f_struct.Pair_Interaction.total.SS.dat 681 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/inp.txt 75904 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/log.txt 2961 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/out.total.txt 1933 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/par.txt 2069 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/qsub.sh 2079 05-28-2015 05:42 09.23.14/CGFF/398K-423K_refxn/iter0/qsub_xv.sh 18 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.FF.dat 13050 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.L.dat 4883239 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.M.dat 4737150 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.M2.dat 5418469 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.M_cnt.dat 7 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.Nf.dat 13050 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.b_forces.dat 13419 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.b_struct.dat 4737150 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.d2M.dat 13050 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.d2b.dat 13674 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.g.dat 14686 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.g_cnt.dat 14686 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/save.rescale.dat 0 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/ 18 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.FF.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.L.dat 4858959 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.M.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.M2.dat 5343757 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.M_cnt.dat 7 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.Nf.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.b_forces.dat 13415 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.b_struct.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.d2M.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.d2b.dat 13670 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.g.dat 14456 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.g_cnt.dat 14456 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_25/save.rescale.dat 0 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/ 18 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.FF.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.L.dat 4863964 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.M.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.M2.dat 5386671 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.M_cnt.dat 7 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.Nf.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.b_forces.dat 13426 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.b_struct.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.d2M.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.d2b.dat 13671 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.g.dat 14552 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.g_cnt.dat 14552 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_38/save.rescale.dat 0 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/ 18 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.FF.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.L.dat 4871288 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.M.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.M2.dat 5409664 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.M_cnt.dat 7 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.Nf.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.b_forces.dat 13423 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.b_struct.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.d2M.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.d2b.dat 13671 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.g.dat 14644 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.g_cnt.dat 14644 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_50/save.rescale.dat 0 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/ 18 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.FF.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.L.dat 4866919 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.M.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.M2.dat 5420188 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.M_cnt.dat 7 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.Nf.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.b_forces.dat 13425 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.b_struct.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.d2M.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.d2b.dat 13671 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.g.dat 14655 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.g_cnt.dat 14655 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_63/save.rescale.dat 0 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/ 18 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.FF.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.L.dat 4876602 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.M.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.M2.dat 5414660 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.M_cnt.dat 7 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.Nf.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.b_forces.dat 13428 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.b_struct.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.d2M.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.d2b.dat 13668 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.g.dat 14659 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.g_cnt.dat 14659 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_75/save.rescale.dat 0 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/ 18 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.FF.dat 13050 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.L.dat 4876043 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.M.dat 4737150 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.M2.dat 5399837 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.M_cnt.dat 7 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.Nf.dat 13050 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.b_forces.dat 13427 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.b_struct.dat 4737150 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.d2M.dat 13050 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.d2b.dat 13665 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.g.dat 14618 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.g_cnt.dat 14618 05-28-2015 07:46 09.23.14/CGFF/398K-423K_refxn/iter0/save_398K_83/save.rescale.dat 0 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/ 18 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.FF.dat 13050 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.L.dat 4781529 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.M.dat 4737150 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.M2.dat 5006146 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.M_cnt.dat 7 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.Nf.dat 13050 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.b_forces.dat 13589 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.b_struct.dat 4737150 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.d2M.dat 13050 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.d2b.dat 13367 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.g.dat 14049 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.g_cnt.dat 14049 05-31-2015 10:01 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_100/save.rescale.dat 0 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/ 18 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.FF.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.L.dat 4860155 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.M.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.M2.dat 5343880 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.M_cnt.dat 7 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.Nf.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.b_forces.dat 13415 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.b_struct.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.d2M.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.d2b.dat 13677 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.g.dat 14459 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.g_cnt.dat 14459 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_25/save.rescale.dat 0 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/ 18 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.FF.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.L.dat 4872285 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.M.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.M2.dat 5386895 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.M_cnt.dat 7 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.Nf.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.b_forces.dat 13423 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.b_struct.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.d2M.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.d2b.dat 13678 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.g.dat 14551 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.g_cnt.dat 14551 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_38/save.rescale.dat 0 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/ 18 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.FF.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.L.dat 4877415 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.M.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.M2.dat 5409882 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.M_cnt.dat 7 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.Nf.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.b_forces.dat 13412 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.b_struct.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.d2M.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.d2b.dat 13677 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.g.dat 14642 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.g_cnt.dat 14642 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_50/save.rescale.dat 0 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/ 18 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.FF.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.L.dat 4881676 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.M.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.M2.dat 5418996 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.M_cnt.dat 7 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.Nf.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.b_forces.dat 13419 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.b_struct.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.d2M.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.d2b.dat 13677 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.g.dat 14657 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.g_cnt.dat 14657 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_63/save.rescale.dat 0 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/ 18 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.FF.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.L.dat 4881650 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.M.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.M2.dat 5414535 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.M_cnt.dat 7 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.Nf.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.b_forces.dat 13417 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.b_struct.dat 4737150 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.d2M.dat 13050 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.d2b.dat 13673 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.g.dat 14662 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.g_cnt.dat 14662 05-28-2015 07:47 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_75/save.rescale.dat 0 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/ 18 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.FF.dat 13050 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.L.dat 4884353 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.M.dat 4737150 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.M2.dat 5399314 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.M_cnt.dat 7 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.Nf.dat 13050 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.b_forces.dat 13421 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.b_struct.dat 4737150 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.d2M.dat 13050 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.d2b.dat 13673 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.g.dat 14617 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.g_cnt.dat 14617 05-28-2015 07:48 09.23.14/CGFF/398K-423K_refxn/iter0/save_423K_83/save.rescale.dat 7384 05-31-2015 10:02 09.23.14/CGFF/398K-423K_refxn/iter0/summarize_input.txt 0 05-21-2015 07:20 09.23.14/CGFF/398K-423K_refxn_refCoul/ 0 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/ 212480 05-21-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/398K_25.tpr 230744 05-21-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/398K_38.tpr 247508 05-21-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/398K_50.tpr 265772 05-21-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/398K_63.tpr 282464 05-21-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/398K_75.tpr 293972 05-21-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/398K_83.tpr 282920 05-21-2015 07:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/423K_100.tpr 212480 05-21-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/423K_25.tpr 230744 05-21-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/423K_38.tpr 247508 05-21-2015 07:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/423K_50.tpr 265772 05-21-2015 07:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/423K_63.tpr 282464 05-21-2015 07:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/423K_75.tpr 293972 05-21-2015 07:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/423K_83.tpr 14322 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/S.dat 14322 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/S_CONST.dat 2135 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/average_save_states.py 9436 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgff-PEO_398K-423K_refxn_refCoul.o4025657 0 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/ 0 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/ 0 05-27-2015 01:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/ 6291 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/#mdrun.log.1# 262486 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/343K_100.1frame.gro 262485 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/343K_100.Emin.gro 2102 05-26-2015 16:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/343K_100.Emin.mdp 15076 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/343K_100.edr 1391 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/343K_100.top 306228 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/343K_100.tpr 280100 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/343K_100.trr 104 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/cgPEO_343K_100_Emin.o4025994 3442 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/grompp.log 82987 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/index.ndx 10400 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/mdout-343K_100.mdp 28037 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/mdrun.log 544 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/mol_types_343K_100.itp 232 05-22-2015 07:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/qsub_cgsim_Emin.sh 2102 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/run_gmx.sh 389098 05-26-2015 16:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/table.xvg 58362 05-26-2015 16:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/table_C_C.xvg 58621 05-26-2015 16:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/table_C_Na.xvg 58326 05-26-2015 16:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/table_C_S.xvg 58547 05-26-2015 16:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/table_Na_Na.xvg 58502 05-26-2015 16:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/table_S_Na.xvg 58377 05-26-2015 16:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/table_S_S.xvg 10101 05-26-2015 16:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Emin/table_b0.xvg 0 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/ 7548 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/#mdrun.log.1# 2087 05-26-2015 16:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/343K_100.Equil.mdp 402453 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/343K_100.confout.gro 49460 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/343K_100.edr 1391 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/343K_100.top 306228 05-27-2015 04:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/343K_100.tpr 21423468 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/343K_100.trr 375 05-27-2015 04:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/cgPEO_343K_100_Equil.o4026228 3543 05-27-2015 04:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/grompp.log 82987 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/index.ndx 10384 05-27-2015 04:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/mdout-343K_100.mdp 35007 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/mdrun.log 544 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/mol_types_343K_100.itp 234 05-22-2015 07:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/qsub_cgsim_Equil.sh 2112 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/run_gmx.sh 461928 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/state.cpt 461928 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/state_prev.cpt 389098 05-27-2015 01:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/table.xvg 58362 05-27-2015 01:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/table_C_C.xvg 58621 05-27-2015 01:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/table_C_Na.xvg 58326 05-27-2015 01:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/table_C_S.xvg 58547 05-27-2015 01:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/table_Na_Na.xvg 58502 05-27-2015 01:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/table_S_Na.xvg 58377 05-27-2015 01:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/table_S_S.xvg 10101 05-27-2015 01:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Equil/table_b0.xvg 0 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/ 7589 05-27-2015 09:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/#mdrun.log.1# 402453 05-27-2015 09:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/343K_100.confout.gro 4821260 05-27-2015 09:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/343K_100.edr 2091 05-26-2015 16:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/343K_100.mdp 1391 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/343K_100.top 306228 05-27-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/343K_100.tpr 2100760068 05-27-2015 09:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/343K_100.trr 295666 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/Rg.xvg 14784 05-27-2015 11:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/Rg_index.ndx 1311 05-27-2015 09:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/bonds.xvg 895 05-27-2015 11:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/calc_Rg.sh 1907 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/calc_dist.sh 371 05-27-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/cgPEO_343K_100_Prodrun.o4026239 6260 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/cgPEO_calcRg.o4026580 25771 05-27-2015 10:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/cgPEO_calcdist.o4026436 94019 05-27-2015 09:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/distance.xvg 3575 05-27-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/grompp.log 82987 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/index.ndx 10380 05-27-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/mdout-343K_100.mdp 1813079 05-27-2015 09:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/mdrun.log 544 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/mol_types_343K_100.itp 236 05-22-2015 07:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 07:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/qsub_xv_calcdist.sh 31989 05-27-2015 10:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/rdf_Na-Na.xvg 31990 05-27-2015 10:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/rdf_S-Na.xvg 31991 05-27-2015 10:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/rdf_S-S.xvg 2110 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/run_gmx.sh 461928 05-27-2015 09:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/state.cpt 461928 05-27-2015 09:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/state_prev.cpt 389098 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/table.xvg 58362 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/table_C_C.xvg 58621 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/table_C_Na.xvg 58326 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/table_C_S.xvg 58547 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/table_Na_Na.xvg 58502 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/table_S_Na.xvg 58377 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/table_S_S.xvg 10101 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_100/Prod_run/table_b0.xvg 0 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/ 0 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/ 5989 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/#mdrun.log.1# 164067 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/343K_25.1frame.gro 164070 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/343K_25.Emin.gro 2117 05-26-2015 16:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/343K_25.Emin.mdp 27508 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/343K_25.edr 9785 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/343K_25.top 226728 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/343K_25.tpr 175124 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/343K_25.trr 38 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/cgPEO_343K_25_Emin.o4026004 41786 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/grompp.log 60831 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/index.ndx 10415 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/mdout-343K_25.mdp 34358 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/mdrun.log 10601 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/mol_types_343K_25.itp 231 05-22-2015 07:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/qsub_cgsim_Emin.sh 2097 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/run_gmx.sh 389098 05-26-2015 16:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/table.xvg 58362 05-26-2015 16:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/table_C_C.xvg 58621 05-26-2015 16:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/table_C_Na.xvg 58326 05-26-2015 16:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/table_C_S.xvg 58547 05-26-2015 16:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/table_Na_Na.xvg 58502 05-26-2015 16:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/table_S_Na.xvg 58377 05-26-2015 16:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/table_S_S.xvg 10101 05-26-2015 16:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Emin/table_b0.xvg 0 05-27-2015 05:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/ 7546 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/#mdrun.log.1# 2103 05-26-2015 16:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/343K_25.Equil.mdp 251550 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/343K_25.confout.gro 56876 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/343K_25.edr 9785 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/343K_25.top 226728 05-27-2015 04:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/343K_25.tpr 13392804 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/343K_25.trr 375 05-27-2015 04:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/cgPEO_343K_25_Equil.o4026234 41865 05-27-2015 04:38 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09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/state_prev.cpt 389098 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/table.xvg 58362 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/table_C_C.xvg 58621 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/table_C_Na.xvg 58326 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/table_C_S.xvg 58547 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/table_Na_Na.xvg 58502 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/table_S_Na.xvg 58377 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/table_S_S.xvg 10101 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Equil/table_b0.xvg 0 05-27-2015 11:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/ 7523 05-27-2015 07:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/#mdrun.log.1# 251550 05-27-2015 07:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/343K_25.confout.gro 5541476 05-27-2015 07:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/343K_25.edr 2106 05-26-2015 16:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/343K_25.mdp 9785 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/343K_25.top 226728 05-27-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/343K_25.tpr --------- ------- 4371222521 447 files ===================================================== Content of ZIP archive 09.23.14-077.zip ===================================================== Archive: 09.23.14-077.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 05-27-2015 07:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/343K_25.trr 295657 05-27-2015 11:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/Rg.xvg 14784 05-27-2015 11:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/Rg_index.ndx 1330 05-27-2015 08:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/bonds.xvg 894 05-27-2015 11:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/calc_Rg.sh 1894 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/calc_dist.sh 370 05-27-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/cgPEO_343K_25_Prodrun.o4026245 6282 05-27-2015 11:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/cgPEO_calcRg.o4026574 46405 05-27-2015 09:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/cgPEO_calcdist.o4026295 94019 05-27-2015 08:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/distance.xvg 41874 05-27-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/grompp.log 60831 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/index.ndx 10395 05-27-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/mdout-343K_25.mdp 1813307 05-27-2015 07:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/mdrun.log 10601 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/mol_types_343K_25.itp 235 05-22-2015 07:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 07:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/qsub_xv_calcdist.sh 31573 05-27-2015 09:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/rdf_C-C.xvg 31573 05-27-2015 09:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/rdf_C-Na.xvg 31570 05-27-2015 09:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/rdf_C-S.xvg 31571 05-27-2015 09:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/rdf_Na-Na.xvg 31570 05-27-2015 09:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/rdf_S-Na.xvg 31571 05-27-2015 09:17 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/run_gmx.sh 304608 05-27-2015 07:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/state.cpt 304608 05-27-2015 07:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/state_prev.cpt 389098 05-27-2015 05:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/table.xvg 58362 05-27-2015 05:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/table_C_C.xvg 58621 05-27-2015 05:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/table_C_Na.xvg 58326 05-27-2015 05:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/table_C_S.xvg 58547 05-27-2015 05:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/table_Na_Na.xvg 58502 05-27-2015 05:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/table_S_Na.xvg 58377 05-27-2015 05:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/table_S_S.xvg 10101 05-27-2015 05:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_25/Prod_run/table_b0.xvg 0 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/ 0 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/ 6297 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/#mdrun.log.1# 181081 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/343K_38.1frame.gro 181080 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/343K_38.Emin.gro 2117 05-26-2015 16:30 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/343K_38.Emin.mdp 31072 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/343K_38.edr 9789 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/343K_38.top 246508 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/343K_38.tpr 193268 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/343K_38.trr 104 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/cgPEO_343K_38_Emin.o4026002 41761 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/grompp.log 64662 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/index.ndx 10415 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/mdout-343K_38.mdp 38843 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/mdrun.log 10601 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/mol_types_343K_38.itp 231 05-22-2015 07:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/qsub_cgsim_Emin.sh 2101 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/run_gmx.sh 389098 05-26-2015 16:31 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/table.xvg 58362 05-26-2015 16:31 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/table_C_C.xvg 58621 05-26-2015 16:31 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/table_C_Na.xvg 58326 05-26-2015 16:31 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/table_C_S.xvg 58547 05-26-2015 16:31 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/table_Na_Na.xvg 58502 05-26-2015 16:31 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/table_S_Na.xvg 58377 05-26-2015 16:31 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/table_S_S.xvg 10101 05-26-2015 16:31 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Emin/table_b0.xvg 0 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/ 7519 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/#mdrun.log.1# 2103 05-26-2015 16:30 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/343K_38.Equil.mdp 277632 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/343K_38.confout.gro 56876 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/343K_38.edr 9789 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/343K_38.top 246508 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/343K_38.tpr 14780820 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/343K_38.trr 375 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/cgPEO_343K_38_Equil.o4026233 41899 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/grompp.log 64662 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/index.ndx 10399 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/mdout-343K_38.mdp 35812 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/mdrun.log 10601 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/mol_types_343K_38.itp 233 05-22-2015 07:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/qsub_cgsim_Equil.sh 2111 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/run_gmx.sh 331824 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/state.cpt 331824 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/state_prev.cpt 389098 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/table.xvg 58362 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/table_C_C.xvg 58621 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/table_C_Na.xvg 58326 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/table_C_S.xvg 58547 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/table_Na_Na.xvg 58502 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/table_S_Na.xvg 58377 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/table_S_S.xvg 10101 05-27-2015 01:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Equil/table_b0.xvg 0 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/ 7533 05-27-2015 07:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/#mdrun.log.1# 277632 05-27-2015 07:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/343K_38.confout.gro 5541476 05-27-2015 07:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/343K_38.edr 2106 05-26-2015 16:31 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/343K_38.mdp 9789 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/343K_38.top 246508 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/343K_38.tpr 1449389820 05-27-2015 07:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/343K_38.trr 295650 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/Rg.xvg 14784 05-27-2015 11:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/Rg_index.ndx 1330 05-27-2015 08:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/bonds.xvg 894 05-27-2015 11:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/calc_Rg.sh 1894 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/calc_dist.sh 368 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/cgPEO_343K_38_Prodrun.o4026244 6285 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/cgPEO_calcRg.o4026575 46365 05-27-2015 09:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/cgPEO_calcdist.o4026296 94019 05-27-2015 08:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/distance.xvg 41885 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/grompp.log 64662 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/index.ndx 10395 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/mdout-343K_38.mdp 1813378 05-27-2015 07:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/mdrun.log 10601 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/mol_types_343K_38.itp 235 05-22-2015 07:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 07:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/qsub_xv_calcdist.sh 31638 05-27-2015 09:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/rdf_C-C.xvg 31638 05-27-2015 09:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/rdf_C-Na.xvg 31637 05-27-2015 09:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/rdf_C-S.xvg 31638 05-27-2015 09:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/rdf_Na-Na.xvg 31637 05-27-2015 09:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/rdf_S-Na.xvg 31638 05-27-2015 09:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/run_gmx.sh 331824 05-27-2015 07:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/state.cpt 331824 05-27-2015 07:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/state_prev.cpt 389098 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/table.xvg 58362 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/table_C_C.xvg 58621 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/table_C_Na.xvg 58326 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/table_C_S.xvg 58547 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/table_Na_Na.xvg 58502 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/table_S_Na.xvg 58377 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/table_S_S.xvg 10101 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_38/Prod_run/table_b0.xvg 0 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/ 0 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/ 5993 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/#mdrun.log.1# 196872 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/343K_50.1frame.gro 196875 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/343K_50.Emin.gro 2117 05-26-2015 16:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/343K_50.Emin.mdp 19588 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/343K_50.edr 9793 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/343K_50.top 264676 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/343K_50.tpr 210116 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/343K_50.trr 38 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/cgPEO_343K_50_Emin.o4026001 41797 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/grompp.log 68220 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/index.ndx 10415 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/mdout-343K_50.mdp 28546 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/mdrun.log 10604 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/mol_types_343K_50.itp 231 05-22-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/qsub_cgsim_Emin.sh 2097 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/run_gmx.sh 389098 05-26-2015 16:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/table.xvg 58362 05-26-2015 16:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/table_C_C.xvg 58621 05-26-2015 16:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/table_C_Na.xvg 58326 05-26-2015 16:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/table_C_S.xvg 58547 05-26-2015 16:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/table_Na_Na.xvg 58502 05-26-2015 16:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/table_S_Na.xvg 58377 05-26-2015 16:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/table_S_S.xvg 10101 05-26-2015 16:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Emin/table_b0.xvg 0 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/ 7515 05-27-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/#mdrun.log.1# 2103 05-26-2015 16:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/343K_50.Equil.mdp 301851 05-27-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/343K_50.confout.gro 56876 05-27-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/343K_50.edr 9793 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/343K_50.top 264676 05-27-2015 04:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/343K_50.tpr 16069692 05-27-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/343K_50.trr 371 05-27-2015 04:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/cgPEO_343K_50_Equil.o4026232 41901 05-27-2015 04:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/grompp.log 68220 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/index.ndx 10399 05-27-2015 04:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/mdout-343K_50.mdp 35826 05-27-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/mdrun.log 10604 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/mol_types_343K_50.itp 233 05-22-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/qsub_cgsim_Equil.sh 2111 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/run_gmx.sh 357096 05-27-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/state.cpt 357096 05-27-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/state_prev.cpt 389098 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/table.xvg 58362 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/table_C_C.xvg 58621 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/table_C_Na.xvg 58326 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/table_C_S.xvg 58547 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/table_Na_Na.xvg 58502 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/table_S_Na.xvg 58377 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/table_S_S.xvg 10101 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Equil/table_b0.xvg 0 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/ 7537 05-27-2015 08:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/#mdrun.log.1# 301851 05-27-2015 08:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/343K_50.confout.gro 5541476 05-27-2015 08:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/343K_50.edr 2106 05-26-2015 16:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/343K_50.mdp 9793 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/343K_50.top 264676 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/343K_50.tpr 1575775092 05-27-2015 08:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/343K_50.trr 295639 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/Rg.xvg 14784 05-27-2015 11:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/Rg_index.ndx 1330 05-27-2015 09:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/bonds.xvg 894 05-27-2015 11:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/calc_Rg.sh 1894 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/calc_dist.sh 375 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/cgPEO_343K_50_Prodrun.o4026243 6295 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/cgPEO_calcRg.o4026576 46396 05-27-2015 09:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/cgPEO_calcdist.o4026297 94019 05-27-2015 09:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/distance.xvg 41892 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/grompp.log 68220 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/index.ndx 10395 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/mdout-343K_50.mdp 1813756 05-27-2015 08:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/mdrun.log 10604 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/mol_types_343K_50.itp 235 05-22-2015 07:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 07:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/qsub_xv_calcdist.sh 31727 05-27-2015 09:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/rdf_C-C.xvg 31726 05-27-2015 09:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/rdf_C-Na.xvg 31727 05-27-2015 09:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/rdf_C-S.xvg 31727 05-27-2015 09:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/rdf_Na-Na.xvg 31726 05-27-2015 09:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/rdf_S-Na.xvg 31728 05-27-2015 09:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/run_gmx.sh 357096 05-27-2015 08:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/state.cpt 357096 05-27-2015 08:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/state_prev.cpt 389098 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/table.xvg 58362 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/table_C_C.xvg 58621 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/table_C_Na.xvg 58326 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/table_C_S.xvg 58547 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/table_Na_Na.xvg 58502 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/table_S_Na.xvg 58377 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/table_S_S.xvg 10101 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_50/Prod_run/table_b0.xvg 0 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/ 0 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/ 5951 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/#mdrun.log.1# 213886 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/343K_63.1frame.gro 213885 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/343K_63.Emin.gro 2116 05-26-2015 16:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/343K_63.Emin.mdp 19588 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/343K_63.edr 9796 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/343K_63.top 284452 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/343K_63.tpr 228260 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/343K_63.trr 38 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/cgPEO_343K_63_Emin.o4026000 41797 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/grompp.log 72050 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/index.ndx 10414 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/mdout-343K_63.mdp 28544 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/mdrun.log 10602 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/mol_types_343K_63.itp 231 05-22-2015 07:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/qsub_cgsim_Emin.sh 2097 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/run_gmx.sh 389098 05-26-2015 16:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/table.xvg 58362 05-26-2015 16:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/table_C_C.xvg 58621 05-26-2015 16:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/table_C_Na.xvg 58326 05-26-2015 16:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/table_C_S.xvg 58547 05-26-2015 16:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/table_Na_Na.xvg 58502 05-26-2015 16:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/table_S_Na.xvg 58377 05-26-2015 16:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/table_S_S.xvg 10101 05-26-2015 16:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Emin/table_b0.xvg 0 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/ 7518 05-27-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/#mdrun.log.1# 2102 05-26-2015 16:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/343K_63.Equil.mdp 327933 05-27-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/343K_63.confout.gro 56876 05-27-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/343K_63.edr 9796 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/343K_63.top 284452 05-27-2015 04:30 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/343K_63.tpr 17457708 05-27-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/343K_63.trr 371 05-27-2015 04:30 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/cgPEO_343K_63_Equil.o4026231 41879 05-27-2015 04:30 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/grompp.log 72050 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/index.ndx 10398 05-27-2015 04:30 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/mdout-343K_63.mdp 35826 05-27-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/mdrun.log 10602 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/mol_types_343K_63.itp 233 05-22-2015 07:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/qsub_cgsim_Equil.sh 2111 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/run_gmx.sh 384312 05-27-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/state.cpt 384312 05-27-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/state_prev.cpt 389098 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/table.xvg 58362 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/table_C_C.xvg 58621 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/table_C_Na.xvg 58326 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/table_C_S.xvg 58547 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/table_Na_Na.xvg 58502 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/table_S_Na.xvg 58377 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/table_S_S.xvg 10101 05-27-2015 01:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Equil/table_b0.xvg 0 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/ 7552 05-27-2015 08:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/#mdrun.log.1# 327933 05-27-2015 08:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/343K_63.confout.gro 5541476 05-27-2015 08:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/343K_63.edr 2105 05-26-2015 16:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/343K_63.mdp 9796 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/343K_63.top 284452 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/343K_63.tpr --------- ------- 4429482859 282 files ===================================================== Content of ZIP archive 09.23.14-078.zip ===================================================== Archive: 09.23.14-078.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 05-27-2015 08:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/343K_63.trr 295653 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/Rg.xvg 14784 05-27-2015 11:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/Rg_index.ndx 1330 05-27-2015 09:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/bonds.xvg 894 05-27-2015 11:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/calc_Rg.sh 1894 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/calc_dist.sh 375 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/cgPEO_343K_63_Prodrun.o4026242 6271 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/cgPEO_calcRg.o4026577 46416 05-27-2015 09:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/cgPEO_calcdist.o4026298 94019 05-27-2015 09:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/distance.xvg 41866 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/grompp.log 72050 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/index.ndx 10394 05-27-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/mdout-343K_63.mdp 1813756 05-27-2015 08:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/mdrun.log 10602 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/mol_types_343K_63.itp 235 05-22-2015 07:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 07:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/qsub_xv_calcdist.sh 31836 05-27-2015 09:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/rdf_C-C.xvg 31837 05-27-2015 09:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/rdf_C-Na.xvg 31837 05-27-2015 09:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/rdf_C-S.xvg 31838 05-27-2015 09:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/rdf_Na-Na.xvg 31835 05-27-2015 09:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/rdf_S-Na.xvg 31837 05-27-2015 09:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/run_gmx.sh 384312 05-27-2015 08:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/state.cpt 384312 05-27-2015 08:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/state_prev.cpt 389098 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/table.xvg 58362 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/table_C_C.xvg 58621 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/table_C_Na.xvg 58326 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/table_C_S.xvg 58547 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/table_Na_Na.xvg 58502 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/table_S_Na.xvg 58377 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/table_S_S.xvg 10101 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_63/Prod_run/table_b0.xvg 0 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/ 0 05-27-2015 01:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/ 6274 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/#mdrun.log.1# 229682 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/343K_75.1frame.gro 229680 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/343K_75.Emin.gro 2117 05-26-2015 16:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/343K_75.Emin.mdp 14044 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/343K_75.edr 9789 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/343K_75.top 302548 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/343K_75.tpr 245108 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/343K_75.trr 104 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/cgPEO_343K_75_Emin.o4025998 41783 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/grompp.log 75606 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/index.ndx 10415 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/mdout-343K_75.mdp 26337 05-26-2015 17:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/mdrun.log 10603 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/mol_types_343K_75.itp 231 05-22-2015 07:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/qsub_cgsim_Emin.sh 2101 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/run_gmx.sh 389098 05-26-2015 16:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/table.xvg 58362 05-26-2015 16:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/table_C_C.xvg 58621 05-26-2015 16:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/table_C_Na.xvg 58326 05-26-2015 16:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/table_C_S.xvg 58547 05-26-2015 16:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/table_Na_Na.xvg 58502 05-26-2015 16:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/table_S_Na.xvg 58377 05-26-2015 16:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/table_S_S.xvg 10101 05-26-2015 16:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Emin/table_b0.xvg 0 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/ 7523 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/#mdrun.log.1# 2103 05-26-2015 16:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/343K_75.Equil.mdp 352152 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/343K_75.confout.gro 56876 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/343K_75.edr 9789 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/343K_75.top 302548 05-27-2015 04:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/343K_75.tpr 18746580 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/343K_75.trr 375 05-27-2015 04:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/cgPEO_343K_75_Equil.o4026230 41889 05-27-2015 04:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/grompp.log 75606 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/index.ndx 10399 05-27-2015 04:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/mdout-343K_75.mdp 35820 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/mdrun.log 10603 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/mol_types_343K_75.itp 233 05-22-2015 07:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/qsub_cgsim_Equil.sh 2111 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/run_gmx.sh 409584 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/state.cpt 409584 05-27-2015 04:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/state_prev.cpt 389098 05-27-2015 01:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/table.xvg 58362 05-27-2015 01:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/table_C_C.xvg 58621 05-27-2015 01:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/table_C_Na.xvg 58326 05-27-2015 01:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/table_C_S.xvg 58547 05-27-2015 01:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/table_Na_Na.xvg 58502 05-27-2015 01:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/table_S_Na.xvg 58377 05-27-2015 01:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/table_S_S.xvg 10101 05-27-2015 01:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Equil/table_b0.xvg 0 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/ 7527 05-27-2015 09:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/#mdrun.log.1# 352152 05-27-2015 09:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/343K_75.confout.gro 5541476 05-27-2015 09:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/343K_75.edr 2106 05-26-2015 16:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/343K_75.mdp 9789 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/343K_75.top 302548 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/343K_75.tpr 1838267580 05-27-2015 09:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/343K_75.trr 295664 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/Rg.xvg 14784 05-27-2015 11:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/Rg_index.ndx 1330 05-27-2015 09:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/bonds.xvg 894 05-27-2015 11:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/calc_Rg.sh 1894 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/calc_dist.sh 375 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/cgPEO_343K_75_Prodrun.o4026241 6337 05-27-2015 11:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/cgPEO_calcRg.o4026578 46381 05-27-2015 10:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/cgPEO_calcdist.o4026432 94019 05-27-2015 09:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/distance.xvg 41882 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/grompp.log 75606 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/index.ndx 10395 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/mdout-343K_75.mdp 1813755 05-27-2015 09:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/mdrun.log 10603 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/mol_types_343K_75.itp 235 05-22-2015 07:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 07:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/qsub_xv_calcdist.sh 31835 05-27-2015 09:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/rdf_C-C.xvg 31836 05-27-2015 09:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/rdf_C-Na.xvg 31835 05-27-2015 09:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/rdf_C-S.xvg 31835 05-27-2015 10:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/rdf_Na-Na.xvg 31837 05-27-2015 10:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/rdf_S-Na.xvg 31837 05-27-2015 10:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/run_gmx.sh 409584 05-27-2015 09:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/state.cpt 409584 05-27-2015 09:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/state_prev.cpt 389098 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/table.xvg 58362 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/table_C_C.xvg 58621 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/table_C_Na.xvg 58326 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/table_C_S.xvg 58547 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/table_Na_Na.xvg 58502 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/table_S_Na.xvg 58377 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/table_S_S.xvg 10101 05-27-2015 05:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_75/Prod_run/table_b0.xvg 0 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/ 0 05-27-2015 01:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/ 6279 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/#mdrun.log.1# 240616 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/343K_83.1frame.gro 240615 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/343K_83.Emin.gro 2116 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/343K_83.Emin.mdp 16816 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/343K_83.edr 9788 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/343K_83.top 315028 05-26-2015 17:04 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09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/qsub_cgsim_Emin.sh 2101 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/run_gmx.sh 389098 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/table.xvg 58362 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/table_C_C.xvg 58621 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/table_C_Na.xvg 58326 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/table_C_S.xvg 58547 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/table_Na_Na.xvg 58502 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/table_S_Na.xvg 58377 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/table_S_S.xvg 10101 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Emin/table_b0.xvg 0 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/ 7428 05-27-2015 04:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/#mdrun.log.1# 2102 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/343K_83.Equil.mdp 368919 05-27-2015 04:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/343K_83.confout.gro 56876 05-27-2015 04:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/343K_83.edr 9788 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/343K_83.top 315028 05-27-2015 04:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/343K_83.tpr 19638876 05-27-2015 04:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/343K_83.trr 370 05-27-2015 04:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/cgPEO_343K_83_Equil.o4026229 41880 05-27-2015 04:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/grompp.log 78069 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/index.ndx 10398 05-27-2015 04:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/mdout-343K_83.mdp 35712 05-27-2015 04:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/mdrun.log 10604 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Equil/mol_types_343K_83.itp 233 05-22-2015 07:13 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31901 05-27-2015 09:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/rdf_C-Na.xvg 31904 05-27-2015 09:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/rdf_C-S.xvg 31903 05-27-2015 10:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/rdf_Na-Na.xvg 31900 05-27-2015 10:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/rdf_S-Na.xvg 31904 05-27-2015 10:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/run_gmx.sh 427080 05-27-2015 08:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/state.cpt 427080 05-27-2015 08:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/state_prev.cpt 389098 05-27-2015 04:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/table.xvg 58362 05-27-2015 04:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/table_C_C.xvg 58621 05-27-2015 04:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/table_C_Na.xvg 58326 05-27-2015 04:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/table_C_S.xvg 58547 05-27-2015 04:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/table_Na_Na.xvg 58502 05-27-2015 04:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/table_S_Na.xvg 58377 05-27-2015 04:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/table_S_S.xvg 10101 05-27-2015 04:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_343K_83/Prod_run/table_b0.xvg 0 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/ 0 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/ 5939 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/#mdrun.log.1# 262482 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/373K_100.1frame.gro 262485 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/373K_100.Emin.gro 2101 05-26-2015 15:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/373K_100.Emin.mdp 9856 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/373K_100.edr 1393 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/373K_100.top 306228 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/373K_100.tpr 280100 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/373K_100.trr 38 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/cgPEO_373K_100_Emin.o4025975 3452 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/grompp.log 82987 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/index.ndx 10400 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/mdout-373K_100.mdp 21802 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/mdrun.log 544 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/mol_types_373K_100.itp 232 05-22-2015 06:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/qsub_cgsim_Emin.sh 2098 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/run_gmx.sh 389098 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/table.xvg 58362 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/table_C_C.xvg 58621 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/table_C_Na.xvg 58326 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/table_C_S.xvg 58547 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/table_Na_Na.xvg 58502 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/table_S_Na.xvg 58377 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/table_S_S.xvg 10101 05-26-2015 15:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Emin/table_b0.xvg 0 05-26-2015 16:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Equil/ 7554 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Equil/#mdrun.log.1# 2088 05-26-2015 15:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Equil/373K_100.Equil.mdp 402453 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Equil/373K_100.confout.gro 49460 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Equil/373K_100.edr 1393 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_100/Equil/373K_100.top 306228 05-26-2015 16:19 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09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/mol_types_373K_25.itp 235 05-22-2015 05:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 05:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/qsub_xv_calcdist.sh 31728 05-27-2015 07:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/rdf_C-C.xvg 31726 05-27-2015 07:36 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/rdf_C-Na.xvg 31728 05-27-2015 07:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/rdf_C-S.xvg 31724 05-27-2015 07:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/rdf_Na-Na.xvg 31724 05-27-2015 07:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/rdf_S-Na.xvg 31726 05-27-2015 07:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/run_gmx.sh 304608 05-27-2015 07:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/state.cpt 304608 05-27-2015 07:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/state_prev.cpt 389098 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/table.xvg 58362 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/table_C_C.xvg 58621 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/table_C_Na.xvg 58326 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/table_C_S.xvg 58547 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/table_Na_Na.xvg 58502 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/table_S_Na.xvg 58377 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/table_S_S.xvg 10101 05-27-2015 04:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_25/Prod_run/table_b0.xvg 0 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/ 0 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/ 6284 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/#mdrun.log.1# 181081 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/373K_38.1frame.gro 181080 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/373K_38.Emin.gro 2117 05-26-2015 16:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/373K_38.Emin.mdp 44140 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/373K_38.edr 9788 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/373K_38.top 246508 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/373K_38.tpr 193268 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/373K_38.trr 104 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/cgPEO_373K_38_Emin.o4025992 41784 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/grompp.log 64662 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/index.ndx 10415 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/mdout-373K_38.mdp 48485 05-26-2015 17:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/mdrun.log 10601 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/mol_types_373K_38.itp 231 05-22-2015 05:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/qsub_cgsim_Emin.sh 2101 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/run_gmx.sh 389098 05-26-2015 16:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/table.xvg 58362 05-26-2015 16:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/table_C_C.xvg 58621 05-26-2015 16:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/table_C_Na.xvg 58326 05-26-2015 16:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/table_C_S.xvg 58547 05-26-2015 16:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/table_Na_Na.xvg 58502 05-26-2015 16:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/table_S_Na.xvg 58377 05-26-2015 16:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/table_S_S.xvg 10101 05-26-2015 16:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Emin/table_b0.xvg 0 05-27-2015 04:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/ 7539 05-27-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/#mdrun.log.1# 2103 05-26-2015 16:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/373K_38.Equil.mdp 277632 05-27-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/373K_38.confout.gro 56876 05-27-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/373K_38.edr 9788 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/373K_38.top 246508 05-27-2015 02:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/373K_38.tpr 14780820 05-27-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/373K_38.trr 374 05-27-2015 02:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/cgPEO_373K_38_Equil.o4026226 41890 05-27-2015 02:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/grompp.log 64662 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/index.ndx 10399 05-27-2015 02:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/mdout-373K_38.mdp 35765 05-27-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/mdrun.log 10601 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/mol_types_373K_38.itp 233 05-22-2015 05:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/qsub_cgsim_Equil.sh 2111 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/run_gmx.sh 331824 05-27-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/state.cpt 389098 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/table.xvg 58362 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/table_C_C.xvg 58621 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/table_C_Na.xvg 58326 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/table_C_S.xvg 58547 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/table_Na_Na.xvg 58502 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/table_S_Na.xvg 58377 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/table_S_S.xvg 10101 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Equil/table_b0.xvg 0 05-27-2015 12:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/ 7576 05-27-2015 07:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/#mdrun.log.1# 277632 05-27-2015 07:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/373K_38.confout.gro 5541476 05-27-2015 07:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/373K_38.edr 2106 05-26-2015 16:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/373K_38.mdp 9788 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/373K_38.top 246508 05-27-2015 04:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/373K_38.tpr 1449389820 05-27-2015 07:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/373K_38.trr 295670 05-27-2015 12:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/Rg_index.ndx 1330 05-27-2015 07:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/bonds.xvg 894 05-27-2015 11:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/calc_Rg.sh 1894 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/calc_dist.sh 375 05-27-2015 04:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/cgPEO_373K_38_Prodrun.o4026237 6260 05-27-2015 12:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/cgPEO_calcRg.o4026619 46442 05-27-2015 07:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/cgPEO_calcdist.o4026281 94019 05-27-2015 07:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/distance.xvg 41879 05-27-2015 04:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/grompp.log 64662 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/index.ndx 10395 05-27-2015 04:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/mdout-373K_38.mdp 1813386 05-27-2015 07:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/mdrun.log 10601 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/mol_types_373K_38.itp 235 05-22-2015 05:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 05:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/qsub_xv_calcdist.sh 31837 05-27-2015 07:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/rdf_C-C.xvg 31836 05-27-2015 07:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/rdf_C-Na.xvg 31837 05-27-2015 07:30 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/rdf_C-S.xvg 31836 05-27-2015 07:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/rdf_Na-Na.xvg 31835 05-27-2015 07:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/rdf_S-Na.xvg 31835 05-27-2015 07:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/run_gmx.sh 331824 05-27-2015 07:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/state.cpt 331824 05-27-2015 07:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/state_prev.cpt 389098 05-27-2015 04:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/table.xvg 58362 05-27-2015 04:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/table_C_C.xvg 58621 05-27-2015 04:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/table_C_Na.xvg 58326 05-27-2015 04:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/table_C_S.xvg 58547 05-27-2015 04:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/table_Na_Na.xvg 58502 05-27-2015 04:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/table_S_Na.xvg 58377 05-27-2015 04:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/table_S_S.xvg 10101 05-27-2015 04:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_38/Prod_run/table_b0.xvg 0 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/ 0 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/ 5959 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/#mdrun.log.1# 196876 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/373K_50.1frame.gro 196875 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/373K_50.Emin.gro 2117 05-26-2015 16:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/373K_50.Emin.mdp 19588 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/373K_50.edr 9787 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/373K_50.top 264672 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/373K_50.tpr 210116 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/373K_50.trr 38 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/cgPEO_373K_50_Emin.o4025989 41748 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/grompp.log 68221 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/index.ndx 248 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/make_bond_index.py 10414 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/mdout-373K_50.mdp 28540 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/mdrun.log 10602 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/mol_types_373K_50.itp 231 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/qsub_cgsim_Emin.sh 231 05-22-2015 05:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/qsub_xv.sh 2097 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/run_gmx.sh 389098 05-26-2015 16:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/table.xvg 58362 05-26-2015 16:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/table_C_C.xvg 58621 05-26-2015 16:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/table_C_Na.xvg 58326 05-26-2015 16:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/table_C_S.xvg 58547 05-26-2015 16:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/table_Na_Na.xvg 58502 05-26-2015 16:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/table_S_Na.xvg 58377 05-26-2015 16:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/table_S_S.xvg 10101 05-26-2015 16:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Emin/table_b0.xvg 0 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/ 7526 05-26-2015 17:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/#mdrun.log.1# 2105 05-26-2015 16:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/373K_50.Equil.mdp 301851 05-26-2015 17:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/373K_50.confout.gro 56876 05-26-2015 17:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/373K_50.edr 9787 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/373K_50.top 264672 05-26-2015 16:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/373K_50.tpr 16069692 05-26-2015 17:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/373K_50.trr 375 05-26-2015 16:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/cgPEO_373K_50_Equil.o4025990 41926 05-26-2015 16:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/grompp.log 68221 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/index.ndx 10398 05-26-2015 16:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/mdout-373K_50.mdp 35822 05-26-2015 17:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/mdrun.log 10602 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/mol_types_373K_50.itp 232 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/qsub_cgsim_Equil.sh 233 05-22-2015 05:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/qsub_xv.sh 2111 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/run_gmx.sh 357096 05-26-2015 17:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/state.cpt 357096 05-26-2015 17:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/state_prev.cpt 389098 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/table.xvg 58362 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/table_C_C.xvg 58621 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/table_C_Na.xvg 58326 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/table_C_S.xvg 58547 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/table_Na_Na.xvg 58502 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/table_S_Na.xvg 58377 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/table_S_S.xvg 10101 05-26-2015 16:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Equil/table_b0.xvg 0 05-27-2015 11:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/ 7517 05-27-2015 06:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/#mdrun.log.1# 301851 05-27-2015 06:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/373K_50.confout.gro 5541476 05-27-2015 06:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/373K_50.edr 2104 05-26-2015 16:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/373K_50.mdp 9787 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/373K_50.top 264672 05-27-2015 03:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/373K_50.tpr 1575775092 05-27-2015 06:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/373K_50.trr 295643 05-27-2015 11:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/Rg_index.ndx 1330 05-27-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/bonds.xvg 894 05-27-2015 11:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/calc_Rg.sh 1894 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/calc_dist.sh 370 05-27-2015 03:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/cgPEO_373K_50_Prodrun.o4026225 6260 05-27-2015 11:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/cgPEO_calcRg.o4026571 46375 05-27-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/cgPEO_calcdist.o4026279 94019 05-27-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/distance.xvg 41894 05-27-2015 03:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/grompp.log 68221 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/index.ndx 10394 05-27-2015 03:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/mdout-373K_50.mdp 1813508 05-27-2015 06:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/mdrun.log 10602 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/mol_types_373K_50.itp 235 05-27-2015 01:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/qsub_xv_calcRg.sh 229 05-27-2015 01:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/qsub_xv_calcdist.sh 31924 05-27-2015 07:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/rdf_C-C.xvg 31925 05-27-2015 07:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/rdf_C-Na.xvg 31925 05-27-2015 07:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/rdf_C-S.xvg 31925 05-27-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/rdf_Na-Na.xvg 31922 05-27-2015 07:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/rdf_S-Na.xvg 31924 05-27-2015 07:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/run_gmx.sh 357096 05-27-2015 06:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/state.cpt 357096 05-27-2015 06:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/state_prev.cpt 389098 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/table.xvg 58362 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/table_C_C.xvg 58621 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/table_C_Na.xvg 58326 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/table_C_S.xvg 58547 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/table_Na_Na.xvg 58502 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/table_S_Na.xvg 58377 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/table_S_S.xvg 10101 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_50/Prod_run/table_b0.xvg 0 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/ 0 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/ 5953 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/#mdrun.log.1# 213886 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/373K_63.1frame.gro 213885 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/373K_63.Emin.gro 2117 05-26-2015 16:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/373K_63.Emin.mdp 15628 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/373K_63.edr 9791 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/373K_63.top 284452 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/373K_63.tpr 228260 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/373K_63.trr 38 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/cgPEO_373K_63_Emin.o4025985 41835 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/grompp.log 72050 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/index.ndx 10415 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/mdout-373K_63.mdp 25597 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/mdrun.log 10602 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/mol_types_373K_63.itp 231 05-22-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/qsub_cgsim_Emin.sh 2097 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/run_gmx.sh 389098 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/table.xvg 58362 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/table_C_C.xvg 58621 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/table_C_Na.xvg 58326 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/table_C_S.xvg 58547 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/table_Na_Na.xvg 58502 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/table_S_Na.xvg 58377 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/table_S_S.xvg 10101 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Emin/table_b0.xvg 0 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/ 7534 05-26-2015 17:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/#mdrun.log.1# 2103 05-26-2015 16:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/373K_63.Equil.mdp 327933 05-26-2015 17:08 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09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/mdout-373K_63.mdp 35819 05-26-2015 17:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/mdrun.log 10602 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/mol_types_373K_63.itp 233 05-22-2015 06:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/qsub_cgsim_Equil.sh 2111 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/run_gmx.sh 384312 05-26-2015 17:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/state.cpt 384312 05-26-2015 17:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/state_prev.cpt 389098 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/table.xvg 58362 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/table_C_C.xvg 58621 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/table_C_Na.xvg 58326 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/table_C_S.xvg 58547 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/table_Na_Na.xvg 58502 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/table_S_Na.xvg 58377 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/table_S_S.xvg 10101 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Equil/table_b0.xvg 0 05-27-2015 11:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/ 7545 05-27-2015 06:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/#mdrun.log.1# 327933 05-27-2015 06:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/373K_63.confout.gro 5541476 05-27-2015 06:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/373K_63.edr 2106 05-26-2015 16:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/373K_63.mdp 9791 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/373K_63.top 284452 05-27-2015 03:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/373K_63.tpr --------- ------- 4429170644 284 files ===================================================== Content of ZIP archive 09.23.14-081.zip ===================================================== Archive: 09.23.14-081.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 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220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 06:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/qsub_xv_calcdist.sh 31990 05-27-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/rdf_C-C.xvg 31991 05-27-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/rdf_C-Na.xvg 31992 05-27-2015 07:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/rdf_C-S.xvg 31991 05-27-2015 07:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/rdf_Na-Na.xvg 31989 05-27-2015 07:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/rdf_S-Na.xvg 31990 05-27-2015 07:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/run_gmx.sh 384312 05-27-2015 06:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/state.cpt 384312 05-27-2015 06:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/state_prev.cpt 389098 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/table.xvg 58362 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/table_C_C.xvg 58621 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/table_C_Na.xvg 58326 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/table_C_S.xvg 58547 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/table_Na_Na.xvg 58502 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/table_S_Na.xvg 58377 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/table_S_S.xvg 10101 05-27-2015 01:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_63/Prod_run/table_b0.xvg 0 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/ 0 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/ 6274 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/#mdrun.log.1# 229682 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/373K_75.1frame.gro 229680 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/373K_75.Emin.gro 2116 05-26-2015 16:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/373K_75.Emin.mdp 12064 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/373K_75.edr 9786 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/373K_75.top 302548 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/373K_75.tpr 245108 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/373K_75.trr 104 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/cgPEO_373K_75_Emin.o4025980 41776 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/grompp.log 75606 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/index.ndx 10413 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/mdout-373K_75.mdp 24908 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/mdrun.log 10603 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/mol_types_373K_75.itp 231 05-22-2015 06:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/qsub_cgsim_Emin.sh 2101 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/run_gmx.sh 389098 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/table.xvg 58362 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/table_C_C.xvg 58621 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/table_C_Na.xvg 58326 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/table_C_S.xvg 58547 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/table_Na_Na.xvg 58502 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/table_S_Na.xvg 58377 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/table_S_S.xvg 10101 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Emin/table_b0.xvg 0 05-27-2015 01:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/ 7522 05-26-2015 17:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/#mdrun.log.1# 2102 05-26-2015 16:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/373K_75.Equil.mdp 352152 05-26-2015 17:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/373K_75.confout.gro 56876 05-26-2015 17:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/373K_75.edr 9786 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/373K_75.top 302548 05-26-2015 16:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/373K_75.tpr 18746580 05-26-2015 17:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/373K_75.trr 375 05-26-2015 16:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/cgPEO_373K_75_Equil.o4025981 41868 05-26-2015 16:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/grompp.log 75606 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/index.ndx 10397 05-26-2015 16:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/mdout-373K_75.mdp 35822 05-26-2015 17:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/mdrun.log 10603 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/mol_types_373K_75.itp 233 05-22-2015 06:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/qsub_cgsim_Equil.sh 2111 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/run_gmx.sh 409584 05-26-2015 17:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/state.cpt 409584 05-26-2015 17:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/state_prev.cpt 389098 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/table.xvg 58362 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/table_C_C.xvg 58621 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/table_C_Na.xvg 58326 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/table_C_S.xvg 58547 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/table_Na_Na.xvg 58502 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/table_S_Na.xvg 58377 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/table_S_S.xvg 10101 05-26-2015 16:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Equil/table_b0.xvg 0 05-27-2015 11:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/ 7405 05-27-2015 06:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/#mdrun.log.1# 352152 05-27-2015 06:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/373K_75.confout.gro 5541476 05-27-2015 06:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/373K_75.edr 2105 05-26-2015 16:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/373K_75.mdp 9786 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/373K_75.top 302548 05-27-2015 02:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/373K_75.tpr 1838267580 05-27-2015 06:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/373K_75.trr 295643 05-27-2015 11:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/Rg.xvg 14784 05-27-2015 11:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/Rg_index.ndx 1330 05-27-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/bonds.xvg 894 05-27-2015 11:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/calc_Rg.sh 1894 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/calc_dist.sh 375 05-27-2015 02:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/cgPEO_373K_75_Prodrun.o4026222 6280 05-27-2015 11:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/cgPEO_calcRg.o4026569 46319 05-27-2015 07:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/cgPEO_calcdist.o4026277 94019 05-27-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/distance.xvg 41864 05-27-2015 02:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/grompp.log 75606 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/index.ndx 10393 05-27-2015 02:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/mdout-373K_75.mdp 1813517 05-27-2015 06:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/mdrun.log 10603 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/mol_types_373K_75.itp 235 05-22-2015 06:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 06:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/qsub_xv_calcdist.sh 32033 05-27-2015 06:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/rdf_C-C.xvg 32035 05-27-2015 07:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/rdf_C-Na.xvg 32034 05-27-2015 07:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/rdf_C-S.xvg 32033 05-27-2015 07:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/rdf_Na-Na.xvg 32033 05-27-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/rdf_S-Na.xvg 32035 05-27-2015 07:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/run_gmx.sh 409584 05-27-2015 06:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/state.cpt 409584 05-27-2015 06:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/state_prev.cpt 389098 05-27-2015 01:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/table.xvg 58362 05-27-2015 01:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/table_C_C.xvg 58621 05-27-2015 01:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/table_C_Na.xvg 58326 05-27-2015 01:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/table_C_S.xvg 58547 05-27-2015 01:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/table_Na_Na.xvg 58502 05-27-2015 01:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/table_S_Na.xvg 58377 05-27-2015 01:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/table_S_S.xvg 10101 05-27-2015 01:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_75/Prod_run/table_b0.xvg 0 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/ 0 05-26-2015 16:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/ 6279 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/#mdrun.log.1# 240616 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/373K_83.1frame.gro 240615 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/373K_83.Emin.gro 2116 05-26-2015 16:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/373K_83.Emin.mdp 13252 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/373K_83.edr 9791 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/373K_83.top 315028 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/373K_83.tpr 256772 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/373K_83.trr 104 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/cgPEO_373K_83_Emin.o4025978 41764 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/grompp.log 78069 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/index.ndx 10414 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/mdout-373K_83.mdp 25873 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/mdrun.log 10604 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/mol_types_373K_83.itp 231 05-22-2015 06:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/qsub_cgsim_Emin.sh 2101 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/run_gmx.sh 389098 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/table.xvg 58362 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/table_C_C.xvg 58621 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/table_C_Na.xvg 58326 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/table_C_S.xvg 58547 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/table_Na_Na.xvg 58502 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/table_S_Na.xvg 58377 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/table_S_S.xvg 10101 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Emin/table_b0.xvg 0 05-26-2015 16:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Equil/ 7532 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Equil/#mdrun.log.1# 2102 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Equil/373K_83.Equil.mdp 368919 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Equil/373K_83.confout.gro 56876 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Equil/373K_83.edr 9791 05-22-2015 05:53 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31966 05-27-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/rdf_C-C.xvg 31969 05-27-2015 07:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/rdf_C-Na.xvg 31970 05-27-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/rdf_C-S.xvg 31970 05-27-2015 07:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/rdf_Na-Na.xvg 31967 05-27-2015 07:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/rdf_S-Na.xvg 31968 05-27-2015 07:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/rdf_S-S.xvg 2109 05-22-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/run_gmx.sh 427080 05-27-2015 06:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/state.cpt 427080 05-27-2015 06:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/state_prev.cpt 389098 05-26-2015 16:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/table.xvg 58362 05-26-2015 16:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/table_C_C.xvg 58621 05-26-2015 16:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/table_C_S.xvg 58547 05-26-2015 16:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_373K_83/Prod_run/table_S_S.xvg 10101 05-26-2015 16:50 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09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Emin/table_S_Na.xvg 58377 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Emin/table_S_S.xvg 10101 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Emin/table_b0.xvg 0 05-26-2015 16:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/ 7529 05-26-2015 15:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/#mdrun.log.1# 2087 05-26-2015 15:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/398K_100.Equil.mdp 402453 05-26-2015 15:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/398K_100.confout.gro 49460 05-26-2015 15:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/398K_100.edr 1393 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/398K_100.top 306228 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/398K_100.tpr 21423468 05-26-2015 15:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/398K_100.trr 375 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/cgPEO_398K_100_Equil.o4025853 3544 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/grompp.log 82987 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/index.ndx 10384 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/mdout-398K_100.mdp 35006 05-26-2015 15:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/mdrun.log 544 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/mol_types_398K_100.itp 234 05-22-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/qsub_cgsim_Equil.sh 2112 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/run_gmx.sh 461928 05-26-2015 15:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/state.cpt 461928 05-26-2015 15:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/state_prev.cpt 389098 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/table.xvg 58362 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/table_C_C.xvg 58621 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/table_C_Na.xvg 58326 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/table_C_S.xvg 58547 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/table_Na_Na.xvg 58502 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/table_S_Na.xvg 58377 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/table_S_S.xvg 10101 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Equil/table_b0.xvg 0 05-27-2015 11:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/ 7482 05-27-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/#mdrun.log.1# 402453 05-27-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/398K_100.confout.gro 4821260 05-27-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/398K_100.edr 2090 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/398K_100.mdp 1393 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/398K_100.top 306228 05-27-2015 00:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/398K_100.tpr 2100760068 05-27-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/398K_100.trr 295642 05-27-2015 11:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/Rg_index.ndx 1311 05-27-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/bonds.xvg 895 05-27-2015 11:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/calc_Rg.sh 1907 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/calc_dist.sh 367 05-27-2015 00:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/cgPEO_398K_100_Prodrun.o4026020 6262 05-27-2015 11:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/cgPEO_calcRg.o4026566 25743 05-27-2015 06:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/cgPEO_calcdist.o4026264 94019 05-27-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/distance.xvg 3559 05-27-2015 00:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/grompp.log 82987 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/index.ndx 10380 05-27-2015 00:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/mdout-398K_100.mdp 1812892 05-27-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/mdrun.log 544 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/mol_types_398K_100.itp 236 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/qsub_xv_calcdist.sh 32145 05-27-2015 06:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/rdf_Na-Na.xvg 32145 05-27-2015 06:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/rdf_S-Na.xvg 32146 05-27-2015 06:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/rdf_S-S.xvg 2110 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/run_gmx.sh 461928 05-27-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/state.cpt 461928 05-27-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/state_prev.cpt 389098 05-26-2015 16:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/table.xvg 58362 05-26-2015 16:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/table_C_C.xvg 58621 05-26-2015 16:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/table_C_S.xvg 58547 05-26-2015 16:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/table_S_S.xvg 10101 05-26-2015 16:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_100/Prod_run/table_b0.xvg 0 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/ 0 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/ 5964 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/#mdrun.log.1# 164071 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/398K_25.1frame.gro 164070 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/398K_25.Emin.gro 2117 05-26-2015 15:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/398K_25.Emin.mdp 44140 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/398K_25.edr 9792 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/398K_25.top 226728 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/398K_25.tpr 175124 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/398K_25.trr 38 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/cgPEO_398K_25_Emin.o4025972 41775 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/grompp.log 60831 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/index.ndx 10414 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/mdout-398K_25.mdp 46586 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/mdrun.log 10604 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/mol_types_398K_25.itp 231 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/qsub_cgsim_Emin.sh 2097 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/run_gmx.sh 389098 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/table.xvg 58362 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/table_C_C.xvg 58621 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/table_C_Na.xvg 58326 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/table_C_S.xvg 58547 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/table_Na_Na.xvg 58502 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/table_S_Na.xvg 58377 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/table_S_S.xvg 10101 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Emin/table_b0.xvg 0 05-26-2015 16:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/ 7537 05-26-2015 16:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/#mdrun.log.1# 2103 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/398K_25.Equil.mdp 251550 05-26-2015 16:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/398K_25.confout.gro 56876 05-26-2015 16:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/398K_25.edr 9792 05-22-2015 04:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/398K_25.top 226728 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/398K_25.tpr 13392804 05-26-2015 16:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/398K_25.trr 375 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/cgPEO_398K_25_Equil.o4025973 41867 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/grompp.log 60831 05-22-2015 04:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/index.ndx 10398 05-26-2015 16:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/mdout-398K_25.mdp 35764 05-26-2015 16:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/mdrun.log 10604 05-22-2015 04:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/mol_types_398K_25.itp 233 05-22-2015 04:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/qsub_cgsim_Equil.sh 2111 05-22-2015 04:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/run_gmx.sh 304608 05-26-2015 16:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/state.cpt 389098 05-26-2015 15:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/table.xvg 58362 05-26-2015 15:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/table_C_C.xvg 58621 05-26-2015 15:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/table_C_Na.xvg 58326 05-26-2015 15:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/table_C_S.xvg 58547 05-26-2015 15:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/table_Na_Na.xvg 58502 05-26-2015 15:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/table_S_Na.xvg 58377 05-26-2015 15:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/table_S_S.xvg 10101 05-26-2015 15:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Equil/table_b0.xvg 0 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/ 7514 05-27-2015 04:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/#mdrun.log.1# 251550 05-27-2015 04:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/398K_25.confout.gro 5541476 05-27-2015 04:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/398K_25.edr 2106 05-26-2015 15:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/398K_25.mdp 9792 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/398K_25.top 226728 05-27-2015 02:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/398K_25.tpr --------- ------- 4089330455 184 files ===================================================== Content of ZIP archive 09.23.14-083.zip ===================================================== Archive: 09.23.14-083.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 05-27-2015 04:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/398K_25.trr 295660 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/Rg_index.ndx 1330 05-27-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/bonds.xvg 894 05-27-2015 11:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/calc_Rg.sh 1894 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/calc_dist.sh 375 05-27-2015 02:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/cgPEO_398K_25_Prodrun.o4026031 6291 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/cgPEO_calcRg.o4026560 46362 05-27-2015 06:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/cgPEO_calcdist.o4026271 94019 05-27-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/distance.xvg 41862 05-27-2015 02:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/grompp.log 60831 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/index.ndx 10394 05-27-2015 02:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/mdout-398K_25.mdp 1813303 05-27-2015 04:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/mdrun.log 10604 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/mol_types_398K_25.itp 235 05-22-2015 04:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 04:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/qsub_xv_calcdist.sh 31881 05-27-2015 06:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/rdf_C-C.xvg 31880 05-27-2015 06:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/rdf_C-Na.xvg 31882 05-27-2015 06:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/rdf_C-S.xvg 31878 05-27-2015 06:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/rdf_Na-Na.xvg 31880 05-27-2015 06:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/rdf_S-Na.xvg 31879 05-27-2015 06:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/rdf_S-S.xvg 2109 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/run_gmx.sh 304608 05-27-2015 04:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/state.cpt 304608 05-27-2015 04:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/state_prev.cpt 389098 05-26-2015 16:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/table.xvg 58362 05-26-2015 16:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/table_C_C.xvg 58621 05-26-2015 16:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/table_C_S.xvg 58547 05-26-2015 16:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/table_S_S.xvg 10101 05-26-2015 16:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_25/Prod_run/table_b0.xvg 0 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/ 0 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/ 6037 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/#mdrun.log.1# 181081 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/398K_38.1frame.gro 181080 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/398K_38.Emin.gro 2117 05-26-2015 15:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/398K_38.Emin.mdp 39388 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/398K_38.edr 9791 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/398K_38.top 246508 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/398K_38.tpr 193268 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/398K_38.trr 38 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/cgPEO_398K_38_Emin.o4025970 41786 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/grompp.log 64662 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/index.ndx 10415 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/mdout-398K_38.mdp 43105 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/mdrun.log 10601 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/mol_types_398K_38.itp 231 05-22-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/qsub_cgsim_Emin.sh 2097 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/run_gmx.sh 389098 05-26-2015 15:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/table.xvg 58362 05-26-2015 15:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/table_C_C.xvg 58621 05-26-2015 15:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/table_C_Na.xvg 58326 05-26-2015 15:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/table_C_S.xvg 58547 05-26-2015 15:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/table_Na_Na.xvg 58502 05-26-2015 15:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/table_S_Na.xvg 58377 05-26-2015 15:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/table_S_S.xvg 10101 05-26-2015 15:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Emin/table_b0.xvg 0 05-26-2015 16:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/ 7556 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/#mdrun.log.1# 2103 05-26-2015 15:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/398K_38.Equil.mdp 277632 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/398K_38.confout.gro 56876 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/398K_38.edr 9791 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/398K_38.top 246508 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/398K_38.tpr 14780820 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/398K_38.trr 375 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/cgPEO_398K_38_Equil.o4025971 41880 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/grompp.log 64662 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/index.ndx 10399 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/mdout-398K_38.mdp 35822 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/mdrun.log 10601 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/mol_types_398K_38.itp 233 05-22-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/qsub_cgsim_Equil.sh 2111 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/run_gmx.sh 331824 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/state.cpt 331824 05-26-2015 16:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/state_prev.cpt 389098 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/table.xvg 58362 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/table_C_C.xvg 58621 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/table_C_Na.xvg 58326 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/table_C_S.xvg 58547 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/table_Na_Na.xvg 58502 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/table_S_Na.xvg 58377 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/table_S_S.xvg 10101 05-26-2015 15:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Equil/table_b0.xvg 0 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/ 7532 05-27-2015 05:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/#mdrun.log.1# 277632 05-27-2015 05:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/398K_38.confout.gro 5541476 05-27-2015 05:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/398K_38.edr 2106 05-26-2015 15:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/398K_38.mdp 9791 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/398K_38.top 246508 05-27-2015 02:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/398K_38.tpr 1449389820 05-27-2015 05:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/398K_38.trr 295653 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/Rg_index.ndx 1330 05-27-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/bonds.xvg 894 05-27-2015 11:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/calc_Rg.sh 1894 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/calc_dist.sh 375 05-27-2015 02:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/cgPEO_398K_38_Prodrun.o4026030 6263 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/cgPEO_calcRg.o4026561 46414 05-27-2015 06:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/cgPEO_calcdist.o4026270 94019 05-27-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/distance.xvg 41875 05-27-2015 02:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/grompp.log 64662 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/index.ndx 10395 05-27-2015 02:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/mdout-398K_38.mdp 1813503 05-27-2015 05:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/mdrun.log 10601 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/mol_types_398K_38.itp 235 05-22-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/qsub_xv_calcdist.sh 31991 05-27-2015 06:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/rdf_C-C.xvg 31990 05-27-2015 06:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/rdf_C-Na.xvg 31991 05-27-2015 06:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/rdf_C-S.xvg 31990 05-27-2015 06:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/rdf_Na-Na.xvg 31989 05-27-2015 06:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/rdf_S-Na.xvg 31989 05-27-2015 06:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/rdf_S-S.xvg 2109 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/run_gmx.sh 331824 05-27-2015 05:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/state.cpt 331824 05-27-2015 05:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/state_prev.cpt 389098 05-26-2015 16:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/table.xvg 58362 05-26-2015 16:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/table_C_C.xvg 58621 05-26-2015 16:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/table_C_S.xvg 58547 05-26-2015 16:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/table_S_S.xvg 10101 05-26-2015 16:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_38/Prod_run/table_b0.xvg 0 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/ 0 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/ 5962 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/#mdrun.log.1# 196876 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/398K_50.1frame.gro 196875 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/398K_50.Emin.gro 2117 05-26-2015 15:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/398K_50.Emin.mdp 11668 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/398K_50.edr 9790 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/398K_50.top 264676 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/398K_50.tpr 210116 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/398K_50.trr 38 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/cgPEO_398K_50_Emin.o4025860 41774 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/grompp.log 68220 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/index.ndx 10414 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/mdout-398K_50.mdp 22742 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/mdrun.log 10604 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/mol_types_398K_50.itp 231 05-22-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/qsub_cgsim_Emin.sh 2097 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/run_gmx.sh 389098 05-26-2015 15:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/table.xvg 58362 05-26-2015 15:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/table_C_C.xvg 58621 05-26-2015 15:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/table_C_Na.xvg 58326 05-26-2015 15:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/table_C_S.xvg 58547 05-26-2015 15:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/table_Na_Na.xvg 58502 05-26-2015 15:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/table_S_Na.xvg 58377 05-26-2015 15:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/table_S_S.xvg 10101 05-26-2015 15:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Emin/table_b0.xvg 0 05-26-2015 16:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/ 7523 05-26-2015 16:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/#mdrun.log.1# 2103 05-26-2015 15:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/398K_50.Equil.mdp 301851 05-26-2015 16:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/398K_50.confout.gro 56876 05-26-2015 16:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/398K_50.edr 9790 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/398K_50.top 264676 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/398K_50.tpr 16069692 05-26-2015 16:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/398K_50.trr 375 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/cgPEO_398K_50_Equil.o4025861 41855 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/grompp.log 68220 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/index.ndx 10398 05-26-2015 16:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/mdout-398K_50.mdp 35820 05-26-2015 16:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/mdrun.log 10604 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/mol_types_398K_50.itp 233 05-22-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/qsub_cgsim_Equil.sh 2111 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/run_gmx.sh 357096 05-26-2015 16:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/state.cpt 357096 05-26-2015 16:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/state_prev.cpt 389098 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/table.xvg 58362 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/table_C_C.xvg 58621 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/table_C_Na.xvg 58326 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/table_C_S.xvg 58547 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/table_Na_Na.xvg 58502 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/table_S_Na.xvg 58377 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/table_S_S.xvg 10101 05-26-2015 15:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Equil/table_b0.xvg 0 05-27-2015 11:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/ 7537 05-27-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/#mdrun.log.1# 301851 05-27-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/398K_50.confout.gro 5541476 05-27-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/398K_50.edr 2106 05-26-2015 15:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/398K_50.mdp 9790 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/398K_50.top 264676 05-27-2015 02:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/398K_50.tpr 1575775092 05-27-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/398K_50.trr 295657 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/Rg_index.ndx 1330 05-27-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/bonds.xvg 894 05-27-2015 11:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/calc_Rg.sh 1894 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/calc_dist.sh 370 05-27-2015 02:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/cgPEO_398K_50_Prodrun.o4026028 6273 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/cgPEO_calcRg.o4026562 46361 05-27-2015 06:35 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/cgPEO_calcdist.o4026269 94019 05-27-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/distance.xvg 41862 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32100 05-27-2015 06:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/rdf_C-C.xvg 32101 05-27-2015 06:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/rdf_C-Na.xvg 32100 05-27-2015 06:17 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/rdf_C-S.xvg 32100 05-27-2015 06:35 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/rdf_Na-Na.xvg 32099 05-27-2015 06:31 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/rdf_S-Na.xvg 32100 05-27-2015 06:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/rdf_S-S.xvg 2109 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/run_gmx.sh 357096 05-27-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_50/Prod_run/state.cpt 357096 05-27-2015 05:11 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09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/Rg_index.ndx 1330 05-27-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/bonds.xvg 894 05-27-2015 11:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/calc_Rg.sh 1894 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/calc_dist.sh 375 05-27-2015 02:17 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/cgPEO_398K_63_Prodrun.o4026025 6267 05-27-2015 11:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/cgPEO_calcRg.o4026563 46415 05-27-2015 06:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/cgPEO_calcdist.o4026268 94019 05-27-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/distance.xvg 41879 05-27-2015 02:17 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/grompp.log 72050 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/index.ndx 10394 05-27-2015 02:17 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/mdout-398K_63.mdp 1813438 05-27-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/mdrun.log 10602 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/mol_types_398K_63.itp 235 05-22-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/qsub_xv_calcdist.sh 32011 05-27-2015 06:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/rdf_C-C.xvg 32012 05-27-2015 06:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/rdf_C-Na.xvg 32012 05-27-2015 06:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/rdf_C-S.xvg 32012 05-27-2015 06:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/rdf_Na-Na.xvg 32012 05-27-2015 06:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/rdf_S-Na.xvg 32013 05-27-2015 06:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/rdf_S-S.xvg 2109 05-22-2015 04:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/run_gmx.sh 384312 05-27-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/state.cpt 384312 05-27-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/state_prev.cpt 389098 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/table.xvg 58362 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/table_C_C.xvg 58621 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/table_C_S.xvg 58547 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/table_S_S.xvg 10101 05-26-2015 16:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_63/Prod_run/table_b0.xvg 0 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/ 0 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/ 6306 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/#mdrun.log.1# 229682 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/398K_75.1frame.gro 229680 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/398K_75.Emin.gro 2116 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/398K_75.Emin.mdp 14440 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/398K_75.edr 9791 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/398K_75.top 302548 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/398K_75.tpr 245108 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/398K_75.trr 104 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/cgPEO_398K_75_Emin.o4025856 41765 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/grompp.log 75606 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/index.ndx 10413 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/mdout-398K_75.mdp 26673 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/mdrun.log 10603 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/mol_types_398K_75.itp 231 05-22-2015 05:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/qsub_cgsim_Emin.sh 2101 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/run_gmx.sh 389098 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/table.xvg 58362 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/table_C_C.xvg 58621 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/table_C_Na.xvg 58326 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/table_C_S.xvg 58547 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/table_Na_Na.xvg 58502 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/table_S_Na.xvg 58377 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/table_S_S.xvg 10101 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Emin/table_b0.xvg 0 05-26-2015 16:44 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/ 7526 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/#mdrun.log.1# 2102 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/398K_75.Equil.mdp 352152 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/398K_75.confout.gro 56876 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/398K_75.edr 9791 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/398K_75.top 302548 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/398K_75.tpr 18746580 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/398K_75.trr 375 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/cgPEO_398K_75_Equil.o4025857 41877 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/grompp.log 75606 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/index.ndx 10397 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/mdout-398K_75.mdp 35817 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/mdrun.log 10603 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/mol_types_398K_75.itp 233 05-22-2015 05:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/qsub_cgsim_Equil.sh 2111 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/run_gmx.sh 409584 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/state.cpt 409584 05-26-2015 16:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/state_prev.cpt 389098 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/table.xvg 58362 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/table_C_C.xvg 58621 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/table_C_Na.xvg 58326 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/table_C_S.xvg 58547 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/table_Na_Na.xvg 58502 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/table_S_Na.xvg 58377 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/table_S_S.xvg 10101 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Equil/table_b0.xvg 0 05-27-2015 11:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/ 7523 05-27-2015 06:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/#mdrun.log.1# 352152 05-27-2015 06:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/398K_75.confout.gro 5541476 05-27-2015 06:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/398K_75.edr 2105 05-26-2015 15:33 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/398K_75.mdp 9791 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/398K_75.top 302548 05-27-2015 02:17 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/398K_75.tpr 1838267580 05-27-2015 06:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/398K_75.trr 295634 05-27-2015 11:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/Rg_index.ndx 1330 05-27-2015 06:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/bonds.xvg 894 05-27-2015 11:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/calc_Rg.sh 1894 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/calc_dist.sh 375 05-27-2015 02:17 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/cgPEO_398K_75_Prodrun.o4026022 6298 05-27-2015 11:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/cgPEO_calcRg.o4026564 46321 05-27-2015 06:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/cgPEO_calcdist.o4026267 94019 05-27-2015 06:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/distance.xvg 41879 05-27-2015 02:17 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/grompp.log 75606 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/index.ndx 10393 05-27-2015 02:17 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/mdout-398K_75.mdp 1813679 05-27-2015 06:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/mdrun.log 10603 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/mol_types_398K_75.itp 235 05-22-2015 05:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/qsub_xv_calcRg.sh 229 05-22-2015 05:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/qsub_xv_calcdist.sh 32143 05-27-2015 06:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/rdf_C-C.xvg 32144 05-27-2015 06:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/rdf_C-Na.xvg 32145 05-27-2015 06:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/rdf_C-S.xvg 32144 05-27-2015 06:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/rdf_Na-Na.xvg 32144 05-27-2015 06:35 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/rdf_S-Na.xvg 32147 05-27-2015 06:25 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/rdf_S-S.xvg 2109 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/run_gmx.sh 409584 05-27-2015 06:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/state.cpt 409584 05-27-2015 06:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/state_prev.cpt 389098 05-26-2015 16:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/table.xvg 58362 05-26-2015 16:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/table_C_C.xvg 58621 05-26-2015 16:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/table_C_S.xvg 58547 05-26-2015 16:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/table_S_S.xvg 10101 05-26-2015 16:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_75/Prod_run/table_b0.xvg 0 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/ 0 05-26-2015 15:30 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09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Emin/run_gmx.sh 389098 05-26-2015 15:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Emin/table.xvg 58362 05-26-2015 15:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Emin/table_C_C.xvg 58621 05-26-2015 15:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Emin/table_C_Na.xvg 58326 05-26-2015 15:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Emin/table_C_S.xvg 58547 05-26-2015 15:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Emin/table_Na_Na.xvg 58502 05-26-2015 15:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Emin/table_S_Na.xvg 58377 05-26-2015 15:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Emin/table_S_S.xvg 10101 05-26-2015 15:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Emin/table_b0.xvg 0 05-26-2015 16:44 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Equil/ 7522 05-26-2015 16:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Equil/#mdrun.log.1# 2102 05-26-2015 15:30 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Equil/398K_83.Equil.mdp 368919 05-26-2015 16:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Equil/398K_83.confout.gro 56876 05-26-2015 16:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Equil/398K_83.edr 9792 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Equil/398K_83.top 315028 05-26-2015 15:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Equil/398K_83.tpr 19638876 05-26-2015 16:00 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32188 05-27-2015 05:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/rdf_C-S.xvg 32189 05-27-2015 06:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/rdf_Na-Na.xvg 32189 05-27-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/rdf_S-Na.xvg 32190 05-27-2015 06:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/rdf_S-S.xvg 2109 05-22-2015 04:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/run_gmx.sh 427080 05-27-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/state.cpt 427080 05-27-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/state_prev.cpt 389098 05-26-2015 16:44 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/table.xvg 58362 05-26-2015 16:44 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/table_C_C.xvg 58621 05-26-2015 16:44 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:44 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/table_C_S.xvg 58547 05-26-2015 16:44 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:44 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:44 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/table_S_S.xvg 10101 05-26-2015 16:44 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_398K_83/Prod_run/table_b0.xvg 0 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/ 0 05-26-2015 15:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/ 6281 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/#mdrun.log.1# 262487 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/423K_100.1frame.gro 262485 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/423K_100.Emin.gro 2101 05-26-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/423K_100.Emin.mdp 16120 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/423K_100.edr 1391 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/423K_100.top 306228 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/423K_100.tpr 280100 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/423K_100.trr 104 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/cgPEO_423K_100_Emin.o4025831 3436 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/grompp.log 82987 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/index.ndx 10400 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/mdout-423K_100.mdp 28924 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/mdrun.log 544 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/mol_types_423K_100.itp 232 05-21-2015 09:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/qsub_cgsim_Emin.sh 2102 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/run_gmx.sh 389098 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/table.xvg 58362 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/table_C_C.xvg 58621 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/table_C_Na.xvg 58326 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/table_C_S.xvg 58547 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/table_Na_Na.xvg 58502 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/table_S_Na.xvg 58377 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/table_S_S.xvg 10101 05-26-2015 14:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Emin/table_b0.xvg 0 05-26-2015 16:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/ 7527 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/#mdrun.log.1# 2088 05-26-2015 14:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/423K_100.Equil.mdp 402453 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/423K_100.confout.gro 49460 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/423K_100.edr 1391 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/423K_100.top 306228 05-26-2015 14:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/423K_100.tpr 21423468 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/423K_100.trr 375 05-26-2015 14:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/cgPEO_423K_100_Equil.o4025832 3529 05-26-2015 14:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/grompp.log 82987 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/index.ndx 10384 05-26-2015 14:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/mdout-423K_100.mdp 35003 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/mdrun.log 544 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/mol_types_423K_100.itp 234 05-21-2015 09:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/qsub_cgsim_Equil.sh 2112 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/run_gmx.sh 461928 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/state.cpt 461928 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/state_prev.cpt 389098 05-26-2015 14:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/table.xvg 58362 05-26-2015 14:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/table_C_C.xvg 58621 05-26-2015 14:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/table_C_Na.xvg 58326 05-26-2015 14:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/table_C_S.xvg 58547 05-26-2015 14:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/table_Na_Na.xvg 58502 05-26-2015 14:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/table_S_Na.xvg 58377 05-26-2015 14:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/table_S_S.xvg 10101 05-26-2015 14:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Equil/table_b0.xvg 0 05-27-2015 11:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/ 7599 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/#mdrun.log.1# 402453 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/423K_100.confout.gro 4821260 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/423K_100.edr 2091 05-26-2015 14:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/423K_100.mdp 1391 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/423K_100.top 306228 05-27-2015 00:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/423K_100.tpr 2100760068 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/423K_100.trr 295652 05-27-2015 11:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/Rg_index.ndx 1311 05-27-2015 05:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/bonds.xvg 895 05-27-2015 11:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/calc_Rg.sh 1907 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/calc_dist.sh 375 05-27-2015 00:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/cgPEO_398K_100_Prodrun.o4026019 6285 05-27-2015 11:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/cgPEO_calcRg.o4026553 25769 05-27-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/cgPEO_calcdist.o4026257 94019 05-27-2015 05:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/distance.xvg 3552 05-27-2015 00:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/grompp.log 82987 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/index.ndx 10380 05-27-2015 00:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/mdout-423K_100.mdp 1813002 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/mdrun.log 544 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/mol_types_423K_100.itp 236 05-21-2015 09:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/qsub_xv_calcRg.sh 229 05-21-2015 09:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/qsub_xv_calcdist.sh 32411 05-27-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/rdf_Na-Na.xvg 32408 05-27-2015 06:24 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/rdf_S-Na.xvg 32411 05-27-2015 06:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/rdf_S-S.xvg 2110 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/run_gmx.sh 461928 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/state.cpt 461928 05-27-2015 04:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/state_prev.cpt 389098 05-26-2015 16:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/table.xvg 58362 05-26-2015 16:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/table_C_C.xvg 58621 05-26-2015 16:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/table_C_S.xvg 58547 05-26-2015 16:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/table_S_S.xvg 10101 05-26-2015 16:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_100/Prod_run/table_b0.xvg 0 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/ 0 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/ 5958 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/#mdrun.log.1# 164067 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/423K_25.1frame.gro 164070 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/423K_25.Emin.gro 2117 05-26-2015 15:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/423K_25.Emin.mdp 22756 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/423K_25.edr 9790 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/423K_25.top 226728 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/423K_25.tpr 175124 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/423K_25.trr 38 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/cgPEO_423K_25_Emin.o4025848 41802 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/grompp.log 60831 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/index.ndx 10414 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/mdout-423K_25.mdp 30865 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/mdrun.log 10604 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/mol_types_423K_25.itp 231 05-21-2015 09:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/qsub_cgsim_Emin.sh 2097 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/run_gmx.sh 389098 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/table.xvg 58362 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/table_C_C.xvg 58621 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/table_C_Na.xvg 58326 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/table_C_S.xvg 58547 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/table_Na_Na.xvg 58502 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/table_S_Na.xvg 58377 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/table_S_S.xvg 10101 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Emin/table_b0.xvg 0 05-26-2015 16:36 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/ 7583 05-26-2015 15:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/#mdrun.log.1# 2103 05-26-2015 15:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/423K_25.Equil.mdp 251550 05-26-2015 15:47 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09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/mdout-423K_25.mdp 35821 05-26-2015 15:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/mdrun.log 10604 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/mol_types_423K_25.itp 233 05-21-2015 09:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/qsub_cgsim_Equil.sh 2111 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/run_gmx.sh 304608 05-26-2015 15:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/state.cpt 304608 05-26-2015 15:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/state_prev.cpt 389098 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/table.xvg 58362 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/table_C_C.xvg 58621 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/table_C_Na.xvg 58326 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/table_C_S.xvg 58547 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/table_Na_Na.xvg 58502 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/table_S_Na.xvg 58377 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/table_S_S.xvg 10101 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Equil/table_b0.xvg 0 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/ 7554 05-27-2015 00:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/#mdrun.log.1# 251550 05-27-2015 00:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/423K_25.confout.gro 5541476 05-27-2015 00:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/423K_25.edr 2106 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/423K_25.mdp 9790 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/423K_25.top 226728 05-26-2015 21:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/423K_25.tpr --------- ------- 4089610630 185 files ===================================================== Content of ZIP archive 09.23.14-086.zip ===================================================== Archive: 09.23.14-086.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 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220 05-27-2015 11:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/qsub_xv_calcRg.sh 229 05-21-2015 09:43 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/qsub_xv_calcdist.sh 31574 05-27-2015 06:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/rdf_C-C.xvg 31572 05-27-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/rdf_C-Na.xvg 31573 05-27-2015 06:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/rdf_C-S.xvg 31572 05-27-2015 06:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/rdf_Na-Na.xvg 31571 05-27-2015 06:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/rdf_S-Na.xvg 31575 05-27-2015 06:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/rdf_S-S.xvg 2109 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16:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/table_S_S.xvg 10101 05-26-2015 16:37 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_25/Prod_run/table_b0.xvg 0 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/ 0 05-26-2015 15:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/ 5969 05-26-2015 15:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/#mdrun.log.1# 181082 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/423K_38.1frame.gro 181080 05-26-2015 15:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/423K_38.Emin.gro 2117 05-26-2015 15:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/423K_38.Emin.mdp 23548 05-26-2015 15:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/423K_38.edr 9789 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/423K_38.top 246508 05-26-2015 15:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/423K_38.tpr 193268 05-26-2015 15:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/423K_38.trr 38 05-26-2015 15:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/cgPEO_423K_38_Emin.o4025845 41756 05-26-2015 15:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/grompp.log 64662 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/index.ndx 10415 05-26-2015 15:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/mdout-423K_38.mdp 31404 05-26-2015 15:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/mdrun.log 10601 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/mol_types_423K_38.itp 231 05-21-2015 09:44 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/qsub_cgsim_Emin.sh 2097 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/run_gmx.sh 389098 05-26-2015 15:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/table.xvg 58362 05-26-2015 15:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/table_C_C.xvg 58621 05-26-2015 15:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/table_C_Na.xvg 58326 05-26-2015 15:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/table_C_S.xvg 58547 05-26-2015 15:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/table_Na_Na.xvg 58502 05-26-2015 15:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/table_S_Na.xvg 58377 05-26-2015 15:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/table_S_S.xvg 10101 05-26-2015 15:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Emin/table_b0.xvg 0 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/ 7539 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/#mdrun.log.1# 2103 05-26-2015 15:19 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/423K_38.Equil.mdp 277632 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/423K_38.confout.gro 56876 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/423K_38.edr 9789 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/423K_38.top 246508 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/423K_38.tpr 14780820 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/423K_38.trr 375 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/cgPEO_423K_38_Equil.o4025846 41875 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/grompp.log 64662 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/index.ndx 10399 05-26-2015 15:26 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/mdout-423K_38.mdp 35826 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/mdrun.log 10601 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/mol_types_423K_38.itp 233 05-21-2015 09:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/qsub_cgsim_Equil.sh 2111 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/run_gmx.sh 331824 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/state.cpt 331824 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/state_prev.cpt 389098 05-26-2015 15:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/table.xvg 58362 05-26-2015 15:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/table_C_C.xvg 58621 05-26-2015 15:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/table_C_Na.xvg 58326 05-26-2015 15:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/table_C_S.xvg 58547 05-26-2015 15:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/table_Na_Na.xvg 58502 05-26-2015 15:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/table_S_Na.xvg 58377 05-26-2015 15:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/table_S_S.xvg 10101 05-26-2015 15:21 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Equil/table_b0.xvg 0 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/ 7536 05-27-2015 00:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/#mdrun.log.1# 277632 05-27-2015 00:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/423K_38.confout.gro 5541476 05-27-2015 00:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/423K_38.edr 2106 05-26-2015 15:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/423K_38.mdp 9789 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/423K_38.top 246508 05-26-2015 21:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/423K_38.tpr 1449389820 05-27-2015 00:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/423K_38.trr 295640 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/Rg_index.ndx 1330 05-27-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/bonds.xvg 894 05-27-2015 11:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/calc_Rg.sh 1894 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/calc_dist.sh 373 05-26-2015 21:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/cgPEO_423K_38_Prodrun.o4026014 6263 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/cgPEO_calcRg.o4026558 46390 05-27-2015 06:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/cgPEO_calcdist.o4026262 94019 05-27-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/distance.xvg 41907 05-26-2015 21:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/grompp.log 64662 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/index.ndx 10395 05-26-2015 21:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/mdout-423K_38.mdp 1813384 05-27-2015 00:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/mdrun.log 10601 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/mol_types_423K_38.itp 235 05-21-2015 09:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/qsub_xv_calcRg.sh 229 05-21-2015 09:45 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/qsub_xv_calcdist.sh 32078 05-27-2015 05:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/rdf_C-C.xvg 32079 05-27-2015 06:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/rdf_C-Na.xvg 32078 05-27-2015 06:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/rdf_C-S.xvg 32078 05-27-2015 06:14 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/rdf_Na-Na.xvg 32077 05-27-2015 06:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/rdf_S-Na.xvg 32077 05-27-2015 06:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/rdf_S-S.xvg 2109 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/run_gmx.sh 331824 05-27-2015 00:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/state.cpt 331824 05-27-2015 00:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/state_prev.cpt 389098 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/table.xvg 58362 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/table_C_C.xvg 58621 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/table_C_S.xvg 58547 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/table_S_S.xvg 10101 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_38/Prod_run/table_b0.xvg 0 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/ 0 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/ 5986 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/#mdrun.log.1# 196876 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/423K_50.1frame.gro 196875 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/423K_50.Emin.gro 2116 05-26-2015 15:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/423K_50.Emin.mdp 21172 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/423K_50.edr 9790 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/423K_50.top 264676 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/423K_50.tpr 210116 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/423K_50.trr 38 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/cgPEO_423K_50_Emin.o4025843 41792 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/grompp.log 68220 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/index.ndx 10413 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/mdout-423K_50.mdp 29708 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/mdrun.log 10604 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/mol_types_423K_50.itp 231 05-21-2015 09:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/qsub_cgsim_Emin.sh 2097 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/run_gmx.sh 389098 05-26-2015 15:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/table.xvg 58362 05-26-2015 15:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/table_C_C.xvg 58621 05-26-2015 15:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/table_C_Na.xvg 58326 05-26-2015 15:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/table_C_S.xvg 58547 05-26-2015 15:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/table_Na_Na.xvg 58502 05-26-2015 15:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/table_S_Na.xvg 58377 05-26-2015 15:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/table_S_S.xvg 10101 05-26-2015 15:15 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Emin/table_b0.xvg 0 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/ 7515 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/#mdrun.log.1# 2102 05-26-2015 15:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/423K_50.Equil.mdp 301851 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/423K_50.confout.gro 56876 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/423K_50.edr 9790 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/423K_50.top 264676 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/423K_50.tpr 16069692 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/423K_50.trr 375 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/cgPEO_423K_50_Equil.o4025844 41865 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/grompp.log 68220 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/index.ndx 10397 05-26-2015 15:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/mdout-423K_50.mdp 35815 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/mdrun.log 10604 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/mol_types_423K_50.itp 233 05-21-2015 09:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/qsub_cgsim_Equil.sh 2111 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/run_gmx.sh 357096 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/state.cpt 357096 05-26-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/state_prev.cpt 389098 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/table.xvg 58362 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/table_C_C.xvg 58621 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/table_C_Na.xvg 58326 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/table_C_S.xvg 58547 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/table_Na_Na.xvg 58502 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/table_S_Na.xvg 58377 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/table_S_S.xvg 10101 05-26-2015 15:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Equil/table_b0.xvg 0 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/ 7549 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/#mdrun.log.1# 301851 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/423K_50.confout.gro 5541476 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/423K_50.edr 2105 05-26-2015 15:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/423K_50.mdp 9790 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/423K_50.top 264676 05-26-2015 23:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/423K_50.tpr 1575775092 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/423K_50.trr 295642 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/Rg_index.ndx 1330 05-27-2015 05:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/bonds.xvg 894 05-27-2015 11:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/calc_Rg.sh 1894 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/calc_dist.sh 375 05-26-2015 23:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/cgPEO_423K_50_Prodrun.o4026015 6281 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/cgPEO_calcRg.o4026557 46386 05-27-2015 06:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/cgPEO_calcdist.o4026261 94019 05-27-2015 05:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/distance.xvg 41884 05-26-2015 23:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/grompp.log 68220 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/index.ndx 10393 05-26-2015 23:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/mdout-423K_50.mdp 1813508 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/mdrun.log 10604 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/mol_types_423K_50.itp 235 05-21-2015 09:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/qsub_xv_calcRg.sh 229 05-21-2015 09:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/qsub_xv_calcdist.sh 32209 05-27-2015 05:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/rdf_C-C.xvg 32211 05-27-2015 06:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/rdf_C-Na.xvg 32211 05-27-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/rdf_C-S.xvg 32210 05-27-2015 06:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/rdf_Na-Na.xvg 32210 05-27-2015 06:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/rdf_S-Na.xvg 32211 05-27-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/rdf_S-S.xvg 2109 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/run_gmx.sh 357096 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/state.cpt 357096 05-27-2015 01:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/state_prev.cpt 389098 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/table.xvg 58362 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/table_C_C.xvg 58621 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/table_C_S.xvg 58547 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/table_S_S.xvg 10101 05-26-2015 16:38 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_50/Prod_run/table_b0.xvg 0 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/ 0 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/ 5961 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/#mdrun.log.1# 213886 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/423K_63.1frame.gro 213885 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/423K_63.Emin.gro 2116 05-26-2015 15:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/423K_63.Emin.mdp 19192 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/423K_63.edr 9788 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/423K_63.top 284452 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/423K_63.tpr 228260 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/423K_63.trr 38 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/cgPEO_423K_63_Emin.o4025837 41784 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/grompp.log 72050 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/index.ndx 10414 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/mdout-423K_63.mdp 28279 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/mdrun.log 10602 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/mol_types_423K_63.itp 231 05-21-2015 09:47 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/qsub_cgsim_Emin.sh 2097 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/run_gmx.sh 389098 05-26-2015 15:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/table.xvg 58362 05-26-2015 15:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/table_C_C.xvg 58621 05-26-2015 15:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/table_C_Na.xvg 58326 05-26-2015 15:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/table_C_S.xvg 58547 05-26-2015 15:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/table_Na_Na.xvg 58502 05-26-2015 15:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/table_S_Na.xvg 58377 05-26-2015 15:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/table_S_S.xvg 10101 05-26-2015 15:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Emin/table_b0.xvg 0 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/ 7527 05-26-2015 15:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/#mdrun.log.1# 2102 05-26-2015 15:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/423K_63.Equil.mdp 327933 05-26-2015 15:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/423K_63.confout.gro 56876 05-26-2015 15:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/423K_63.edr 9788 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/423K_63.top 284452 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/423K_63.tpr 17457708 05-26-2015 15:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/423K_63.trr 375 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/cgPEO_423K_63_Equil.o4025838 41894 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/grompp.log 72050 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/index.ndx 10398 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/mdout-423K_63.mdp 35824 05-26-2015 15:34 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/mdrun.log 10602 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/mol_types_423K_63.itp 233 05-21-2015 09:48 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/qsub_cgsim_Equil.sh 2111 05-21-2015 09:40 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09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/table_S_Na.xvg 58377 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/table_S_S.xvg 10101 05-26-2015 15:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Equil/table_b0.xvg 0 05-27-2015 11:13 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/ 7523 05-27-2015 02:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/#mdrun.log.1# 327933 05-27-2015 02:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/423K_63.confout.gro 5541476 05-27-2015 02:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/423K_63.edr 2105 05-26-2015 15:10 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/423K_63.mdp 9788 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/423K_63.top 284452 05-26-2015 23:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/423K_63.tpr --------- ------- 4429474917 282 files ===================================================== Content of ZIP archive 09.23.14-087.zip ===================================================== Archive: 09.23.14-087.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 05-27-2015 02:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/423K_63.trr 295660 05-27-2015 11:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/Rg_index.ndx 1330 05-27-2015 05:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/bonds.xvg 894 05-27-2015 11:06 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32300 05-27-2015 05:57 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/rdf_C-S.xvg 32298 05-27-2015 06:23 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/rdf_Na-Na.xvg 32298 05-27-2015 06:16 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/rdf_S-Na.xvg 32299 05-27-2015 06:09 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/rdf_S-S.xvg 2109 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/run_gmx.sh 384312 05-27-2015 02:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/state.cpt 384312 05-27-2015 02:28 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/state_prev.cpt 389098 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/table.xvg 58362 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/table_C_C.xvg 58621 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/table_C_S.xvg 58547 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/table_S_S.xvg 10101 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_63/Prod_run/table_b0.xvg 0 05-26-2015 15:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/ 0 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/ 5956 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/#mdrun.log.1# 229682 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/423K_75.1frame.gro 229680 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/423K_75.Emin.gro 2116 05-26-2015 15:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/423K_75.Emin.mdp 15628 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/423K_75.edr 9791 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/423K_75.top 302548 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/423K_75.tpr 245108 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/423K_75.trr 38 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/cgPEO_423K_75_Emin.o4025835 41755 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/grompp.log 75606 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/index.ndx 10413 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/mdout-423K_75.mdp 25583 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/mdrun.log 10603 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/mol_types_423K_75.itp 231 05-21-2015 09:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/qsub_cgsim_Emin.sh 2097 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/run_gmx.sh 389098 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/table.xvg 58362 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/table_C_C.xvg 58621 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/table_C_Na.xvg 58326 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/table_C_S.xvg 58547 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/table_Na_Na.xvg 58502 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/table_S_Na.xvg 58377 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/table_S_S.xvg 10101 05-26-2015 15:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Emin/table_b0.xvg 0 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/ 7522 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/#mdrun.log.1# 2102 05-26-2015 15:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/423K_75.Equil.mdp 352152 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/423K_75.confout.gro 56876 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/423K_75.edr 9791 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/423K_75.top 302548 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/423K_75.tpr 18746580 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/423K_75.trr 375 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/cgPEO_423K_75_Equil.o4025836 41878 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/grompp.log 75606 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/index.ndx 10397 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/mdout-423K_75.mdp 35820 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/mdrun.log 10603 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/mol_types_423K_75.itp 233 05-21-2015 09:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/qsub_cgsim_Equil.sh 2111 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/run_gmx.sh 409584 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/state.cpt 409584 05-26-2015 15:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/state_prev.cpt 389098 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/table.xvg 58362 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/table_C_C.xvg 58621 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/table_C_Na.xvg 58326 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/table_C_S.xvg 58547 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/table_Na_Na.xvg 58502 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/table_S_Na.xvg 58377 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/table_S_S.xvg 10101 05-26-2015 15:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Equil/table_b0.xvg 0 05-27-2015 11:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/ 7621 05-27-2015 02:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/#mdrun.log.1# 352152 05-27-2015 02:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/423K_75.confout.gro 5541476 05-27-2015 02:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/423K_75.edr 2105 05-26-2015 15:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/423K_75.mdp 9791 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/423K_75.top 302548 05-26-2015 23:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/423K_75.tpr 1838267580 05-27-2015 02:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/423K_75.trr 295649 05-27-2015 11:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/Rg_index.ndx 1330 05-27-2015 05:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/bonds.xvg 894 05-27-2015 11:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/calc_Rg.sh 1894 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/calc_dist.sh 374 05-26-2015 23:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/cgPEO_423K_75_Prodrun.o4026017 6273 05-27-2015 11:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/cgPEO_calcRg.o4026555 46379 05-27-2015 06:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/cgPEO_calcdist.o4026259 94019 05-27-2015 05:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/distance.xvg 41898 05-26-2015 23:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/grompp.log 75606 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/index.ndx 10393 05-26-2015 23:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/mdout-423K_75.mdp 1813679 05-27-2015 02:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/mdrun.log 10603 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/mol_types_423K_75.itp 235 05-21-2015 09:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/qsub_xv_calcRg.sh 229 05-21-2015 09:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/qsub_xv_calcdist.sh 32297 05-27-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/rdf_C-C.xvg 32300 05-27-2015 05:58 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/rdf_C-Na.xvg 32298 05-27-2015 05:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/rdf_C-S.xvg 32299 05-27-2015 06:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/rdf_Na-Na.xvg 32297 05-27-2015 06:18 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/rdf_S-Na.xvg 32299 05-27-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/rdf_S-S.xvg 2109 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/run_gmx.sh 409584 05-27-2015 02:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/state.cpt 409584 05-27-2015 02:49 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/state_prev.cpt 389098 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/table.xvg 58362 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/table_C_C.xvg 58621 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/table_C_S.xvg 58547 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/table_S_S.xvg 10101 05-26-2015 16:39 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_75/Prod_run/table_b0.xvg 0 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/ 0 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/ 5941 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/#mdrun.log.1# 240616 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/423K_83.1frame.gro 240615 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/423K_83.Emin.gro 2116 05-26-2015 15:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/423K_83.Emin.mdp 25132 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/423K_83.edr 9783 05-26-2015 15:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/423K_83.top 315028 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/423K_83.tpr 256772 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/423K_83.trr 38 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/cgPEO_423K_83_Emin.o4025833 41769 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/grompp.log 78069 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/index.ndx 10414 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/mdout-423K_83.mdp 32642 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/mdrun.log 10604 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/mol_types_423K_83.itp 231 05-21-2015 09:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/qsub_cgsim_Emin.sh 2097 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/run_gmx.sh 389098 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/table.xvg 58362 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/table_C_C.xvg 58621 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/table_C_Na.xvg 58326 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/table_C_S.xvg 58547 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/table_Na_Na.xvg 58502 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/table_S_Na.xvg 58377 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/table_S_S.xvg 10101 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Emin/table_b0.xvg 0 05-26-2015 16:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/ 7516 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/#mdrun.log.1# 2102 05-26-2015 15:01 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/423K_83.Equil.mdp 368919 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/423K_83.confout.gro 56876 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/423K_83.edr 9783 05-26-2015 15:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/423K_83.top 315028 05-26-2015 15:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/423K_83.tpr 19638876 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/423K_83.trr 375 05-26-2015 15:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/cgPEO_423K_83_Equil.o4025834 41925 05-26-2015 15:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/grompp.log 78069 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/index.ndx 10398 05-26-2015 15:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/mdout-423K_83.mdp 35820 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/mdrun.log 10604 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/mol_types_423K_83.itp 233 05-21-2015 09:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/qsub_cgsim_Equil.sh 2111 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/run_gmx.sh 427080 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/state.cpt 427080 05-26-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/state_prev.cpt 389098 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/table.xvg 58362 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/table_C_C.xvg 58621 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/table_C_Na.xvg 58326 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/table_C_S.xvg 58547 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/table_Na_Na.xvg 58502 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/table_S_Na.xvg 58377 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/table_S_S.xvg 10101 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Equil/table_b0.xvg 0 05-27-2015 11:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/ 7523 05-27-2015 04:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/#mdrun.log.1# 368919 05-27-2015 04:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/423K_83.confout.gro 5541476 05-27-2015 04:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/423K_83.edr 2105 05-26-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/423K_83.mdp 9783 05-26-2015 15:00 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/423K_83.top 315028 05-27-2015 00:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/423K_83.tpr --------- ------- 3618300210 188 files ===================================================== Content of ZIP archive 09.23.14-088.zip ===================================================== Archive: 09.23.14-088.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 05-27-2015 04:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/423K_83.trr 295625 05-27-2015 11:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/Rg.xvg 14784 05-27-2015 11:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/Rg_index.ndx 1330 05-27-2015 05:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/bonds.xvg 894 05-27-2015 11:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/calc_Rg.sh 1894 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/calc_dist.sh 375 05-27-2015 00:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/cgPEO_423K_83_Prodrun.o4026018 6247 05-27-2015 11:12 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/cgPEO_calcRg.o4026554 46393 05-27-2015 06:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/cgPEO_calcdist.o4026258 94019 05-27-2015 05:50 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/distance.xvg 41866 05-27-2015 00:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/grompp.log 78069 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/index.ndx 10394 05-27-2015 00:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/mdout-423K_83.mdp 1813813 05-27-2015 04:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/mdrun.log 10604 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/mol_types_423K_83.itp 235 05-21-2015 09:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 11:11 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/qsub_xv_calcRg.sh 229 05-21-2015 09:52 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/qsub_xv_calcdist.sh 32362 05-27-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/rdf_C-C.xvg 32363 05-27-2015 05:56 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/rdf_C-Na.xvg 32366 05-27-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/rdf_C-S.xvg 32365 05-27-2015 06:32 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/rdf_Na-Na.xvg 32365 05-27-2015 06:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/rdf_S-Na.xvg 32366 05-27-2015 06:07 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/rdf_S-S.xvg 2109 05-21-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/run_gmx.sh 427080 05-27-2015 04:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/state.cpt 427080 05-27-2015 04:29 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/state_prev.cpt 389098 05-26-2015 16:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/table.xvg 58362 05-26-2015 16:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/table_C_C.xvg 58621 05-26-2015 16:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/table_C_Na.xvg 58326 05-26-2015 16:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/table_C_S.xvg 58547 05-26-2015 16:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/table_Na_Na.xvg 58502 05-26-2015 16:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/table_S_Na.xvg 58377 05-26-2015 16:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/table_S_S.xvg 10101 05-26-2015 16:41 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/cgsim_recalc_dielec/cgsim_423K_83/Prod_run/table_b0.xvg 0 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/ 391 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/copy_forces.sh 3162 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_CC.dat 3193 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_CNa.dat 3131 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_CS.dat 3193 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_NaNa.dat 3286 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_SNa.dat 3069 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_SS.dat 2108 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_bond.dat 2108 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_struct.BondStretch.total.bonds.dat 3162 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_struct.Pair_Interaction.total.CC.dat 3193 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_struct.Pair_Interaction.total.CS.dat 3193 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_struct.Pair_Interaction.total.SS.dat 3949 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/f_zero.dat 1051 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/run.make_gmx4_table.sh 389098 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/table.xvg 58362 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/table_C_C.xvg 58621 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/table_C_Na.xvg 58326 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/table_C_S.xvg 58547 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/table_Na_Na.xvg 58502 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/table_S_Na.xvg 58377 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/table_S_S.xvg 10101 05-26-2015 03:06 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/edit/table_b0.xvg 2108 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_forces.BondStretch.total.bonds.dat 3162 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_forces.Pair_Interaction.total.CC.dat 3193 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_forces.Pair_Interaction.total.CNa.dat 3131 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_forces.Pair_Interaction.total.CS.dat 3193 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_forces.Pair_Interaction.total.SNa.dat 3069 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_forces.Pair_Interaction.total.SS.dat 2108 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_struct.BondStretch.total.bonds.dat 3162 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_struct.Pair_Interaction.total.CC.dat 3193 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_struct.Pair_Interaction.total.CNa.dat 3131 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_struct.Pair_Interaction.total.CS.dat 3193 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_struct.Pair_Interaction.total.SNa.dat 3069 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/f_struct.Pair_Interaction.total.SS.dat 681 05-21-2015 07:30 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/inp.txt 75904 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/log.txt 2990 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/out.total.txt 1933 05-21-2015 07:27 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/par.txt 2069 05-21-2015 07:20 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/qsub.sh 2079 05-21-2015 07:22 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/qsub_xv.sh 18 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.FF.dat 13050 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.L.dat 4883239 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.M.dat 4737150 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.M2.dat 5433117 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.M_cnt.dat 7 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.Nf.dat 13395 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.b_forces.dat 13413 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.b_struct.dat 4737150 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.d2M.dat 13660 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.d2b.dat 13674 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.g.dat 14686 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.g_cnt.dat 14686 05-26-2015 03:04 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/ 18 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.FF.dat 13050 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.L.dat 4858959 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.M.dat 4737150 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.M2.dat 5343757 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.M_cnt.dat 7 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.Nf.dat 13388 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.b_forces.dat 13404 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.b_struct.dat 4737150 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.d2M.dat 13656 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.d2b.dat 13670 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.g.dat 14456 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.g_cnt.dat 14456 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_25/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/ 18 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.FF.dat 13050 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.L.dat 4863964 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.M.dat 4737150 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.M2.dat 5386671 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.M_cnt.dat 7 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.Nf.dat 13407 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.b_forces.dat 13417 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.b_struct.dat 4737150 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.d2M.dat 13657 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.d2b.dat 13671 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.g.dat 14552 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.g_cnt.dat 14552 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_38/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/ 18 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.FF.dat 13050 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.L.dat 4871288 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.M.dat 4737150 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.M2.dat 5409664 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.M_cnt.dat 7 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.Nf.dat 13391 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.b_forces.dat 13422 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.b_struct.dat 4737150 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.d2M.dat 13657 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.d2b.dat 13671 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.g.dat 14644 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.g_cnt.dat 14644 05-21-2015 07:53 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_50/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/ 18 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.FF.dat 13050 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.L.dat 4866919 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.M.dat 4737150 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.M2.dat 5420188 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.M_cnt.dat 7 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.Nf.dat 13386 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.b_forces.dat 13415 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.b_struct.dat 4737150 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.d2M.dat 13657 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.d2b.dat 13671 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.g.dat 14655 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.g_cnt.dat 14655 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_63/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/ 18 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.FF.dat 13050 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.L.dat 4876602 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.M.dat 4737150 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.M2.dat 5414660 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.M_cnt.dat 7 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.Nf.dat 13402 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.b_forces.dat 13423 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.b_struct.dat 4737150 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.d2M.dat 13657 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.d2b.dat 13668 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.g.dat 14659 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.g_cnt.dat 14659 05-21-2015 07:54 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_75/save.rescale.dat 0 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/ 18 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.FF.dat 13050 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.L.dat 4876043 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.M.dat 4737150 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.M2.dat 5399837 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.M_cnt.dat 7 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.Nf.dat 13396 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.b_forces.dat 13421 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.b_struct.dat 4737150 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.d2M.dat 13658 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.d2b.dat 13665 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.g.dat 14618 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.g_cnt.dat 14618 05-26-2015 03:03 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_398K_83/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/ 18 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.FF.dat 13050 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.L.dat 4781529 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.M.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.M2.dat 5006146 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.M_cnt.dat 7 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.Nf.dat 13260 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.b_forces.dat 13589 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.b_struct.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.d2M.dat 13443 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.d2b.dat 13367 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.g.dat 14049 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.g_cnt.dat 14049 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_100/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/ 18 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.FF.dat 13050 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.L.dat 4860155 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.M.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.M2.dat 5367453 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.M_cnt.dat 7 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.Nf.dat 13380 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.b_forces.dat 13398 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.b_struct.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.d2M.dat 13657 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.d2b.dat 13677 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.g.dat 14459 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.g_cnt.dat 14459 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_25/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/ 18 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.FF.dat 13050 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.L.dat 4872285 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.M.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.M2.dat 5417768 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.M_cnt.dat 7 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.Nf.dat 13397 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.b_forces.dat 13416 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.b_struct.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.d2M.dat 13658 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.d2b.dat 13678 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.g.dat 14551 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.g_cnt.dat 14551 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_38/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/ 18 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.FF.dat 13050 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.L.dat 4877415 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.M.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.M2.dat 5439218 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.M_cnt.dat 7 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.Nf.dat 13402 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.b_forces.dat 13407 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.b_struct.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.d2M.dat 13658 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.d2b.dat 13677 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.g.dat 14642 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.g_cnt.dat 14642 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_50/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/ 18 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.FF.dat 13050 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.L.dat 4881676 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.M.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.M2.dat 5448757 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.M_cnt.dat 7 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.Nf.dat 13393 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.b_forces.dat 13416 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.b_struct.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.d2M.dat 13657 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.d2b.dat 13677 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.g.dat 14657 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.g_cnt.dat 14657 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_63/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/ 18 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.FF.dat 13050 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.L.dat 4881650 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.M.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.M2.dat 5445567 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.M_cnt.dat 7 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.Nf.dat 13400 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.b_forces.dat 13412 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.b_struct.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.d2M.dat 13658 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.d2b.dat 13673 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.g.dat 14662 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.g_cnt.dat 14662 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_75/save.rescale.dat 0 05-26-2015 02:55 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/ 18 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.FF.dat 13050 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.L.dat 4884353 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.M.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.M2.dat 5430048 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.M_cnt.dat 7 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.Nf.dat 13425 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.b_forces.dat 13416 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.b_struct.dat 4737150 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.d2M.dat 13659 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.d2b.dat 13673 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.g.dat 14617 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.g_cnt.dat 14617 05-26-2015 02:46 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/save_423K_83/save.rescale.dat 7384 05-26-2015 03:05 09.23.14/CGFF/398K-423K_refxn_refCoul/iter0/summarize_input.txt 0 06-29-2015 04:49 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/ 0 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/ 0 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/ 0 06-29-2015 05:53 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/ 6275 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/#mdrun.log.1# 262486 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/343K_100.1frame.gro 262485 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/343K_100.Emin.gro 2103 06-29-2015 05:37 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/343K_100.Emin.mdp 14728 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/343K_100.edr 1391 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/343K_100.top 306228 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/343K_100.tpr 280100 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/343K_100.trr 104 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/cgPEO_343K_100_Emin.o4060041 3437 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/grompp.log 82987 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/index.ndx 10401 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/mdout-343K_100.mdp 27768 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/mdrun.log 544 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/mol_types_343K_100.itp 232 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/qsub_cgsim_Emin.sh 2102 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/run_gmx.sh 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Emin/table_b0.xvg 0 06-29-2015 08:11 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/ 7419 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/#mdrun.log.1# 2088 06-29-2015 05:38 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/343K_100.Equil.mdp 402453 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/343K_100.confout.gro 49460 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/343K_100.edr 1391 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/343K_100.top 306228 06-29-2015 07:41 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/343K_100.tpr 21423468 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/343K_100.trr 369 06-29-2015 07:41 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/cgPEO_343K_100_Equil.o4060056 3549 06-29-2015 07:41 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/grompp.log 82987 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/index.ndx 10385 06-29-2015 07:41 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/mdout-343K_100.mdp 34898 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/mdrun.log 544 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/mol_types_343K_100.itp 234 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/qsub_cgsim_Equil.sh 2112 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/run_gmx.sh 461928 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/state.cpt 461928 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Equil/table_b0.xvg 0 06-29-2015 16:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/ 1311 06-29-2015 14:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/#bonds.xvg.1# 94019 06-29-2015 14:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/#distance.xvg.1# 7592 06-29-2015 12:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/#mdrun.log.1# 402453 06-29-2015 12:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/343K_100.confout.gro 4821260 06-29-2015 12:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/343K_100.edr 2092 06-29-2015 05:38 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/343K_100.mdp 1391 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/343K_100.top 306228 06-29-2015 08:27 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/343K_100.tpr 2100760068 06-29-2015 12:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/343K_100.trr 295650 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/Rg.xvg 14784 06-29-2015 14:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/Rg_index.ndx 1311 06-29-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/bonds.xvg 895 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/calc_Rg.sh 1907 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/calc_dist.sh 375 06-29-2015 08:27 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/cgPEO_343K_100_Prodrun.o4060069 4116 06-29-2015 14:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/cgPEO_calcRg.o4060777 6297 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/cgPEO_calcRg.o4060802 25565 06-29-2015 15:24 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/cgPEO_calcdist.o4060776 26077 06-29-2015 16:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/cgPEO_calcdist.o4060829 94019 06-29-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/distance.xvg 3564 06-29-2015 08:27 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/grompp.log 82987 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/index.ndx 10381 06-29-2015 08:27 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/mdout-343K_100.mdp 1813067 06-29-2015 12:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/mdrun.log 544 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/mol_types_343K_100.itp 236 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/qsub_xv_calcdist.sh 31992 06-29-2015 16:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/rdf_Na-Na.xvg 31990 06-29-2015 16:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/rdf_S-Na.xvg 31990 06-29-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/rdf_S-S.xvg 2110 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/run_gmx.sh 461928 06-29-2015 12:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/state.cpt 461928 06-29-2015 12:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_100/Prod_run/table_b0.xvg 0 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/ 0 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/ 5982 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/#mdrun.log.1# 164067 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/343K_25.1frame.gro 164070 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/343K_25.Emin.gro 2117 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/343K_25.Emin.mdp 48892 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/343K_25.edr 9785 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/343K_25.top 226728 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/343K_25.tpr 175124 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/343K_25.trr 38 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/cgPEO_343K_25_Emin.o4060029 41812 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/grompp.log 60831 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/index.ndx 10415 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/mdout-343K_25.mdp 50077 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/mdrun.log 10601 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/mol_types_343K_25.itp 231 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/qsub_cgsim_Emin.sh 2097 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/run_gmx.sh 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Emin/table_b0.xvg 0 06-29-2015 05:46 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/ 7542 06-29-2015 05:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/#mdrun.log.1# 2103 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/343K_25.Equil.mdp 251550 06-29-2015 05:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/343K_25.confout.gro 56876 06-29-2015 05:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/343K_25.edr 9785 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/343K_25.top 226728 06-29-2015 05:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/343K_25.tpr 13392804 06-29-2015 05:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/343K_25.trr 375 06-29-2015 05:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/cgPEO_343K_25_Equil.o4060030 41855 06-29-2015 05:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/grompp.log 60831 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/index.ndx 10399 06-29-2015 05:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/mdout-343K_25.mdp 35762 06-29-2015 05:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/mdrun.log 10601 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/mol_types_343K_25.itp 233 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/run_gmx.sh 304608 06-29-2015 05:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/state.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Equil/table_b0.xvg 0 06-29-2015 14:54 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/ 7518 06-29-2015 09:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/#mdrun.log.1# 251550 06-29-2015 09:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/343K_25.confout.gro 5541476 06-29-2015 09:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/343K_25.edr 2106 06-29-2015 05:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/343K_25.mdp 9785 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/343K_25.top 226728 06-29-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/343K_25.tpr --------- ------- 4367894128 432 files ===================================================== Content of ZIP archive 09.23.14-089.zip ===================================================== Archive: 09.23.14-089.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 06-29-2015 09:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/343K_25.trr 295655 06-29-2015 14:54 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/Rg.xvg 14784 06-29-2015 14:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/Rg_index.ndx 1330 06-29-2015 12:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/bonds.xvg 894 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/calc_Rg.sh 1894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/calc_dist.sh 375 06-29-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/cgPEO_343K_25_Prodrun.o4060052 4109 06-29-2015 12:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/cgPEO_calcRg.o4060466 6283 06-29-2015 14:54 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/cgPEO_calcRg.o4060796 46393 06-29-2015 12:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/cgPEO_calcdist.o4060447 94019 06-29-2015 12:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/distance.xvg 41899 06-29-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/grompp.log 60831 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/index.ndx 10395 06-29-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/mdout-343K_25.mdp 1813314 06-29-2015 09:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/mdrun.log 10601 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/mol_types_343K_25.itp 235 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/qsub_xv_calcdist.sh 31572 06-29-2015 12:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/rdf_C-C.xvg 31572 06-29-2015 12:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/rdf_C-Na.xvg 31573 06-29-2015 12:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/rdf_C-S.xvg 31571 06-29-2015 12:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/rdf_Na-Na.xvg 31571 06-29-2015 12:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/rdf_S-Na.xvg 31571 06-29-2015 12:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/run_gmx.sh 304608 06-29-2015 09:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/state.cpt 304608 06-29-2015 09:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_25/Prod_run/table_b0.xvg 0 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/ 0 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/ 6305 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/#mdrun.log.1# 181081 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/343K_38.1frame.gro 181080 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/343K_38.Emin.gro 2117 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/343K_38.Emin.mdp 51664 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/343K_38.edr 9789 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/343K_38.top 246508 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/343K_38.tpr 193268 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/343K_38.trr 104 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/cgPEO_343K_38_Emin.o4060031 41921 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/grompp.log 64662 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/index.ndx 10415 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/mdout-343K_38.mdp 54091 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/mdrun.log 10601 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/mol_types_343K_38.itp 231 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/qsub_cgsim_Emin.sh 2101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/run_gmx.sh 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Emin/table_b0.xvg 0 06-29-2015 05:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/ 7535 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/#mdrun.log.1# 2103 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/343K_38.Equil.mdp 277632 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/343K_38.confout.gro 56876 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/343K_38.edr 9789 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/343K_38.top 246508 06-29-2015 05:24 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/343K_38.tpr 14780820 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/343K_38.trr 375 06-29-2015 05:24 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/cgPEO_343K_38_Equil.o4060032 41877 06-29-2015 05:24 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/grompp.log 64662 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/index.ndx 10399 06-29-2015 05:24 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/mdout-343K_38.mdp 35818 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/mdrun.log 10601 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/mol_types_343K_38.itp 233 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/run_gmx.sh 331824 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/state.cpt 331824 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/state_prev.cpt 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Equil/table_b0.xvg 0 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/ 7543 06-29-2015 09:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/#mdrun.log.1# 277632 06-29-2015 09:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/343K_38.confout.gro 5541476 06-29-2015 09:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/343K_38.edr 2106 06-29-2015 05:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/343K_38.mdp 9789 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/343K_38.top 246508 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/343K_38.tpr 1449389820 06-29-2015 09:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/343K_38.trr 295660 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/Rg.xvg 14784 06-29-2015 14:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/Rg_index.ndx 1330 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/bonds.xvg 894 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/calc_Rg.sh 1894 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/calc_dist.sh 375 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/cgPEO_343K_38_Prodrun.o4060053 4132 06-29-2015 12:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/cgPEO_calcRg.o4060467 6288 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/cgPEO_calcRg.o4060797 46426 06-29-2015 12:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/cgPEO_calcdist.o4060448 94019 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/distance.xvg 41865 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/grompp.log 64662 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/index.ndx 10395 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/mdout-343K_38.mdp 1813444 06-29-2015 09:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/mdrun.log 10601 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/mol_types_343K_38.itp 235 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/qsub_xv_calcdist.sh 31639 06-29-2015 12:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/rdf_C-C.xvg 31639 06-29-2015 12:16 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/rdf_C-Na.xvg 31637 06-29-2015 12:11 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/rdf_C-S.xvg 31636 06-29-2015 12:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/rdf_Na-Na.xvg 31637 06-29-2015 12:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/rdf_S-Na.xvg 31639 06-29-2015 12:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/run_gmx.sh 331824 06-29-2015 09:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/state.cpt 331824 06-29-2015 09:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/state_prev.cpt 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_38/Prod_run/table_b0.xvg 0 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/ 0 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/ 5975 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/#mdrun.log.1# 196872 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/343K_50.1frame.gro 196875 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/343K_50.Emin.gro 2117 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/343K_50.Emin.mdp 26320 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/343K_50.edr 9793 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/343K_50.top 264676 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/343K_50.tpr 210116 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/343K_50.trr 38 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/cgPEO_343K_50_Emin.o4060033 41798 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/grompp.log 68220 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/index.ndx 10415 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/mdout-343K_50.mdp 33459 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/mdrun.log 10604 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/mol_types_343K_50.itp 231 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/qsub_cgsim_Emin.sh 2097 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/run_gmx.sh 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Emin/table_b0.xvg 0 06-29-2015 05:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/ 7507 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/#mdrun.log.1# 2103 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/343K_50.Equil.mdp 301851 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/343K_50.confout.gro 56876 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/343K_50.edr 9793 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/343K_50.top 264676 06-29-2015 05:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/343K_50.tpr 16069692 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/343K_50.trr 368 06-29-2015 05:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/cgPEO_343K_50_Equil.o4060034 41890 06-29-2015 05:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/grompp.log 68220 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/index.ndx 10399 06-29-2015 05:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/mdout-343K_50.mdp 35819 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/mdrun.log 10604 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/mol_types_343K_50.itp 233 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/run_gmx.sh 357096 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/state.cpt 357096 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/state_prev.cpt 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Equil/table_b0.xvg 0 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/ 7563 06-29-2015 10:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/#mdrun.log.1# 301851 06-29-2015 10:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/343K_50.confout.gro 5541476 06-29-2015 10:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/343K_50.edr 2106 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/343K_50.mdp 9793 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/343K_50.top 264676 06-29-2015 07:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/343K_50.tpr 1575775092 06-29-2015 10:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/343K_50.trr 295655 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/Rg.xvg 14784 06-29-2015 14:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/Rg_index.ndx 1330 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/bonds.xvg 894 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/calc_Rg.sh 1894 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/calc_dist.sh 375 06-29-2015 07:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/cgPEO_343K_50_Prodrun.o4060054 4099 06-29-2015 12:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/cgPEO_calcRg.o4060468 6283 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/cgPEO_calcRg.o4060798 46408 06-29-2015 12:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/cgPEO_calcdist.o4060449 94019 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/distance.xvg 41867 06-29-2015 07:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/grompp.log 68220 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/index.ndx 10395 06-29-2015 07:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/mdout-343K_50.mdp 1813571 06-29-2015 10:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/mdrun.log 10604 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/mol_types_343K_50.itp 235 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/qsub_xv_calcdist.sh 31727 06-29-2015 12:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/rdf_C-C.xvg 31726 06-29-2015 12:15 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/rdf_C-Na.xvg 31728 06-29-2015 12:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/rdf_C-S.xvg 31728 06-29-2015 12:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/rdf_Na-Na.xvg 31725 06-29-2015 12:24 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/rdf_S-Na.xvg 31726 06-29-2015 12:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/run_gmx.sh 357096 06-29-2015 10:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/state.cpt 357096 06-29-2015 10:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/state_prev.cpt 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_50/Prod_run/table_b0.xvg 0 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/ 0 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/ 5946 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/#mdrun.log.1# 213886 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/343K_63.1frame.gro 213885 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/343K_63.Emin.gro 2116 06-29-2015 05:31 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/343K_63.Emin.mdp 19588 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/343K_63.edr 9796 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/343K_63.top 284452 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/343K_63.tpr 228260 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/343K_63.trr 38 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/cgPEO_343K_63_Emin.o4060035 41790 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/grompp.log 72050 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/index.ndx 10414 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/mdout-343K_63.mdp 28541 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/mdrun.log 10602 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/mol_types_343K_63.itp 231 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/qsub_cgsim_Emin.sh 2097 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/run_gmx.sh 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Emin/table_b0.xvg 0 06-29-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/ 7525 06-29-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/#mdrun.log.1# 2102 06-29-2015 05:31 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/343K_63.Equil.mdp 327933 06-29-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/343K_63.confout.gro 56876 06-29-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/343K_63.edr 9796 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/343K_63.top 284452 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/343K_63.tpr 17457708 06-29-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/343K_63.trr 375 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/cgPEO_343K_63_Equil.o4060036 41897 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/grompp.log 72050 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/index.ndx 10398 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/mdout-343K_63.mdp 35819 06-29-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/mdrun.log 10602 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/mol_types_343K_63.itp 233 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/run_gmx.sh 384312 06-29-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/state.cpt 384312 06-29-2015 05:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/state_prev.cpt 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Equil/table_b0.xvg 0 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/ 7534 06-29-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/#mdrun.log.1# 327933 06-29-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/343K_63.confout.gro 5541476 06-29-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/343K_63.edr 2105 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/343K_63.mdp 9796 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/343K_63.top 284452 06-29-2015 07:41 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/343K_63.tpr --------- ------- 4429542790 285 files ===================================================== Content of ZIP archive 09.23.14-090.zip ===================================================== Archive: 09.23.14-090.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 06-29-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/343K_63.trr 295624 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/Rg.xvg 14784 06-29-2015 14:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/Rg_index.ndx 1330 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/bonds.xvg 894 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/calc_Rg.sh 1894 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/calc_dist.sh 375 06-29-2015 07:41 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/cgPEO_343K_63_Prodrun.o4060055 4145 06-29-2015 12:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/cgPEO_calcRg.o4060469 6296 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/cgPEO_calcRg.o4060799 46378 06-29-2015 12:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/cgPEO_calcdist.o4060450 94019 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/distance.xvg 41902 06-29-2015 07:41 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/grompp.log 72050 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/index.ndx 10394 06-29-2015 07:41 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/mdout-343K_63.mdp 1813632 06-29-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/mdrun.log 10602 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/mol_types_343K_63.itp 235 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/qsub_xv_calcdist.sh 31837 06-29-2015 12:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/rdf_C-C.xvg 31836 06-29-2015 12:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/rdf_C-Na.xvg 31836 06-29-2015 12:09 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/rdf_C-S.xvg 31836 06-29-2015 12:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/rdf_Na-Na.xvg 31834 06-29-2015 12:28 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/rdf_S-Na.xvg 31835 06-29-2015 12:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/run_gmx.sh 384312 06-29-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/state.cpt 384312 06-29-2015 11:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/state_prev.cpt 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_63/Prod_run/table_b0.xvg 0 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/ 0 06-29-2015 05:34 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/ 6287 06-29-2015 05:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/#mdrun.log.1# 229682 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/343K_75.1frame.gro 229680 06-29-2015 05:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/343K_75.Emin.gro 2117 06-29-2015 05:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/343K_75.Emin.mdp 20380 06-29-2015 05:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/343K_75.edr 9789 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/343K_75.top 302548 06-29-2015 05:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/343K_75.tpr 245108 06-29-2015 05:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/343K_75.trr 104 06-29-2015 05:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/cgPEO_343K_75_Emin.o4060037 41780 06-29-2015 05:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/grompp.log 75606 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/index.ndx 10415 06-29-2015 05:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/mdout-343K_75.mdp 30990 06-29-2015 05:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/mdrun.log 10603 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/mol_types_343K_75.itp 231 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/qsub_cgsim_Emin.sh 2101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/run_gmx.sh 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Emin/table_b0.xvg 0 06-29-2015 06:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/ 7545 06-29-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/#mdrun.log.1# 2103 06-29-2015 05:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/343K_75.Equil.mdp 352152 06-29-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/343K_75.confout.gro 56876 06-29-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/343K_75.edr 9789 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/343K_75.top 302548 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/343K_75.tpr 18746580 06-29-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/343K_75.trr 375 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/cgPEO_343K_75_Equil.o4060038 41867 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/grompp.log 75606 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/index.ndx 10399 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/mdout-343K_75.mdp 35826 06-29-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/mdrun.log 10603 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/mol_types_343K_75.itp 233 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/run_gmx.sh 409584 06-29-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/state.cpt 409584 06-29-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/state_prev.cpt 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Equil/table_b0.xvg 0 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/ 7553 06-29-2015 11:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/#mdrun.log.1# 352152 06-29-2015 11:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/343K_75.confout.gro 5541476 06-29-2015 11:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/343K_75.edr 2106 06-29-2015 05:34 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/343K_75.mdp 9789 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/343K_75.top 302548 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/343K_75.tpr 1838267580 06-29-2015 11:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/343K_75.trr 295625 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/Rg.xvg 14784 06-29-2015 14:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/Rg_index.ndx 1330 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/bonds.xvg 894 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/calc_Rg.sh 1894 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/calc_dist.sh 371 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/cgPEO_343K_75_Prodrun.o4060057 4105 06-29-2015 12:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/cgPEO_calcRg.o4060470 6252 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/cgPEO_calcRg.o4060800 46411 06-29-2015 12:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/cgPEO_calcdist.o4060451 94019 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/distance.xvg 41875 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/grompp.log 75606 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/index.ndx 10395 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/mdout-343K_75.mdp 1813695 06-29-2015 11:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/mdrun.log 10603 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/mol_types_343K_75.itp 235 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/qsub_xv_calcdist.sh 31834 06-29-2015 12:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/rdf_C-C.xvg 31836 06-29-2015 12:09 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/rdf_C-Na.xvg 31836 06-29-2015 12:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/rdf_C-S.xvg 31836 06-29-2015 12:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/rdf_Na-Na.xvg 31835 06-29-2015 12:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/rdf_S-Na.xvg 31836 06-29-2015 12:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/run_gmx.sh 409584 06-29-2015 11:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/state.cpt 409584 06-29-2015 11:47 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/state_prev.cpt 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_75/Prod_run/table_b0.xvg 0 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/ 0 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/ 6277 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/#mdrun.log.1# 240616 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/343K_83.1frame.gro 240615 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/343K_83.Emin.gro 2117 06-29-2015 05:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/343K_83.Emin.mdp 27508 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/343K_83.edr 9788 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/343K_83.top 315028 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/343K_83.tpr 256772 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/343K_83.trr 104 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/cgPEO_343K_83_Emin.o4060039 41764 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/grompp.log 78069 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/index.ndx 10415 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/mdout-343K_83.mdp 36322 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/mdrun.log 10604 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/mol_types_343K_83.itp 231 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/qsub_cgsim_Emin.sh 2101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/run_gmx.sh 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Emin/table_b0.xvg 0 06-29-2015 06:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/ 7550 06-29-2015 06:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/#mdrun.log.1# 2103 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/343K_83.Equil.mdp 368919 06-29-2015 06:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/343K_83.confout.gro 56876 06-29-2015 06:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/343K_83.edr 9788 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/343K_83.top 315028 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/343K_83.tpr 19638876 06-29-2015 06:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/343K_83.trr 375 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/cgPEO_343K_83_Equil.o4060040 41913 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/grompp.log 78069 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/index.ndx 10399 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/mdout-343K_83.mdp 35815 06-29-2015 06:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/mdrun.log 10604 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/mol_types_343K_83.itp 233 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/run_gmx.sh 427080 06-29-2015 06:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/state.cpt 427080 06-29-2015 06:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/state_prev.cpt 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Equil/table_b0.xvg 0 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/ 7518 06-29-2015 11:54 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/#mdrun.log.1# 368919 06-29-2015 11:54 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/343K_83.confout.gro 5541476 06-29-2015 11:54 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/343K_83.edr 2106 06-29-2015 05:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/343K_83.mdp 9788 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/343K_83.top 315028 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/343K_83.tpr --------- ------- 3618319886 190 files ===================================================== Content of ZIP archive 09.23.14-091.zip ===================================================== Archive: 09.23.14-091.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 06-29-2015 11:54 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/343K_83.trr 295653 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/Rg.xvg 14784 06-29-2015 14:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/Rg_index.ndx 1330 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/bonds.xvg 894 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/calc_Rg.sh 1894 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/calc_dist.sh 373 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/cgPEO_343K_83_Prodrun.o4060058 4185 06-29-2015 12:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/cgPEO_calcRg.o4060471 6285 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/cgPEO_calcRg.o4060801 46371 06-29-2015 12:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/cgPEO_calcdist.o4060452 94019 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/distance.xvg 41870 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/grompp.log 78069 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/index.ndx 10395 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/mdout-343K_83.mdp 1813743 06-29-2015 11:54 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/mdrun.log 10604 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/mol_types_343K_83.itp 235 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/qsub_xv_calcdist.sh 31900 06-29-2015 12:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/rdf_C-C.xvg 31902 06-29-2015 12:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/rdf_C-Na.xvg 31902 06-29-2015 12:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/rdf_C-S.xvg 31902 06-29-2015 12:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/rdf_Na-Na.xvg 31901 06-29-2015 12:31 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/rdf_S-Na.xvg 31905 06-29-2015 12:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/run_gmx.sh 427080 06-29-2015 11:54 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/state.cpt 427080 06-29-2015 11:54 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/state_prev.cpt 389098 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/table.xvg 58362 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/table_C_C.xvg 58621 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/table_C_S.xvg 58547 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/table_S_S.xvg 10101 06-29-2015 04:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_343K_83/Prod_run/table_b0.xvg 0 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/ 0 06-29-2015 05:46 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/ 5970 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/#mdrun.log.1# 262482 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/373K_100.1frame.gro 262485 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/373K_100.Emin.gro 2101 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/373K_100.Emin.mdp 23776 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/373K_100.edr 1393 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/373K_100.top 306228 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/373K_100.tpr 280100 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/373K_100.trr 37 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/cgPEO_373K_100_Emin.o4060028 3452 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/grompp.log 82987 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/index.ndx 10400 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/mdout-373K_100.mdp 33507 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/mdrun.log 544 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/mol_types_373K_100.itp 232 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/qsub_cgsim_Emin.sh 2098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/run_gmx.sh 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Emin/table_b0.xvg 0 06-29-2015 07:27 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/ 7526 06-29-2015 07:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/#mdrun.log.1# 2088 06-29-2015 05:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/373K_100.Equil.mdp 402453 06-29-2015 07:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/373K_100.confout.gro 49460 06-29-2015 07:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/373K_100.edr 1393 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/373K_100.top 306228 06-29-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/373K_100.tpr 21423468 06-29-2015 07:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/373K_100.trr 373 06-29-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/cgPEO_373K_100_Equil.o4060051 3529 06-29-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/grompp.log 82987 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/index.ndx 10384 06-29-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/mdout-373K_100.mdp 35014 06-29-2015 07:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/mdrun.log 544 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/mol_types_373K_100.itp 234 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/qsub_cgsim_Equil.sh 2112 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/run_gmx.sh 461928 06-29-2015 07:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/state.cpt 461928 06-29-2015 07:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Equil/table_b0.xvg 0 07-03-2015 10:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/ 1311 06-29-2015 14:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/#bonds.xvg.1# 94019 06-29-2015 14:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/#distance.xvg.1# 7608 06-29-2015 12:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/#mdrun.log.1# 402453 06-29-2015 12:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/373K_100.confout.gro 4821260 06-29-2015 12:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/373K_100.edr 2090 06-29-2015 05:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/373K_100.mdp 1393 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/373K_100.top 306228 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/373K_100.tpr 2100760068 06-29-2015 12:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/373K_100.trr 295658 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/Rg.xvg 14784 06-29-2015 14:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/Rg_index.ndx 1311 06-29-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/bonds.xvg 895 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/calc_Rg.sh 1907 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/calc_dist.sh 375 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/cgPEO_373K_100_Prodrun.o4060064 4140 06-29-2015 14:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/cgPEO_calcRg.o4060775 6300 06-29-2015 14:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/cgPEO_calcRg.o4060803 25582 06-29-2015 15:24 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/cgPEO_calcdist.o4060774 26023 06-29-2015 16:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/cgPEO_calcdist.o4060830 94019 06-29-2015 15:27 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/distance.xvg 3541 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/grompp.log 82987 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/index.ndx 10380 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/mdout-373K_100.mdp 1813006 06-29-2015 12:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/mdrun.log 544 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/mol_types_373K_100.itp 236 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/qsub_xv_calcdist.sh 32145 06-29-2015 16:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/rdf_Na-Na.xvg 32144 06-29-2015 16:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/rdf_S-Na.xvg 32144 06-29-2015 15:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/rdf_S-S.xvg 2110 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/run_gmx.sh 461928 06-29-2015 12:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/state.cpt 461928 06-29-2015 12:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_100/Prod_run/table_b0.xvg 0 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/ 0 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/ 6340 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/#mdrun.log.1# 164071 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/373K_25.1frame.gro 164070 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/373K_25.Emin.gro 2116 06-29-2015 05:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/373K_25.Emin.mdp 57604 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/373K_25.edr 9785 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/373K_25.top 226728 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/373K_25.tpr 175124 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/373K_25.trr 100 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/cgPEO_373K_25_Emin.o4060021 41773 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/grompp.log 60831 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/index.ndx 10414 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/mdout-373K_25.mdp 58403 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/mdrun.log 10604 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/mol_types_373K_25.itp 231 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/qsub_cgsim_Emin.sh 2101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/run_gmx.sh 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Emin/table_b0.xvg 0 06-29-2015 05:41 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/ 7580 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/#mdrun.log.1# 2102 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/373K_25.Equil.mdp 251550 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/373K_25.confout.gro 56876 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/373K_25.edr 9785 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/373K_25.top 226728 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/373K_25.tpr 13392804 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/373K_25.trr 375 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/cgPEO_373K_25_Equil.o4060022 41892 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/grompp.log 60831 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/index.ndx 10397 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/mdout-373K_25.mdp 35763 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/mdrun.log 10604 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/mol_types_373K_25.itp 233 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/run_gmx.sh 304608 06-29-2015 05:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/state.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Equil/table_b0.xvg 0 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/ 7552 06-29-2015 08:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/#mdrun.log.1# 251550 06-29-2015 08:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/373K_25.confout.gro 5541476 06-29-2015 08:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/373K_25.edr 2105 06-29-2015 05:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/373K_25.mdp 9785 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/373K_25.top 226728 06-29-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/373K_25.tpr --------- ------- 4089507651 189 files ===================================================== Content of ZIP archive 09.23.14-092.zip ===================================================== Archive: 09.23.14-092.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 06-29-2015 08:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/373K_25.trr 295656 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/Rg.xvg 14784 06-29-2015 14:53 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/Rg_index.ndx 1330 06-29-2015 11:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/bonds.xvg 894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/calc_Rg.sh 1894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/calc_dist.sh 375 06-29-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/cgPEO_373K_25_Prodrun.o4060045 4101 06-29-2015 12:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/cgPEO_calcRg.o4060460 6273 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/cgPEO_calcRg.o4060809 46456 06-29-2015 12:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/cgPEO_calcdist.o4060441 94019 06-29-2015 11:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/distance.xvg 41863 06-29-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/grompp.log 60831 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/index.ndx 10393 06-29-2015 05:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/mdout-373K_25.mdp 1813383 06-29-2015 08:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/mdrun.log 10604 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/mol_types_373K_25.itp 235 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/qsub_xv_calcdist.sh 31728 06-29-2015 12:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/rdf_C-C.xvg 31727 06-29-2015 12:15 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/rdf_C-Na.xvg 31725 06-29-2015 12:12 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/rdf_C-S.xvg 31726 06-29-2015 12:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/rdf_Na-Na.xvg 31724 06-29-2015 12:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/rdf_S-Na.xvg 31725 06-29-2015 12:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/run_gmx.sh 304608 06-29-2015 08:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/state.cpt 304608 06-29-2015 08:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_25/Prod_run/table_b0.xvg 0 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/ 0 06-29-2015 05:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/ 6295 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/#mdrun.log.1# 181081 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/373K_38.1frame.gro 181080 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/373K_38.Emin.gro 2117 06-29-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/373K_38.Emin.mdp 47308 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/373K_38.edr 9788 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/373K_38.top 246508 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/373K_38.tpr 193268 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/373K_38.trr 104 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/cgPEO_373K_38_Emin.o4060023 41791 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/grompp.log 64662 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/index.ndx 10415 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/mdout-373K_38.mdp 50816 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/mdrun.log 10601 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/mol_types_373K_38.itp 231 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/qsub_cgsim_Emin.sh 2101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/run_gmx.sh 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Emin/table_b0.xvg 0 06-29-2015 07:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/ 7514 06-29-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/#mdrun.log.1# 2103 06-29-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/373K_38.Equil.mdp 277632 06-29-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/373K_38.confout.gro 56876 06-29-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/373K_38.edr 9788 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/373K_38.top 246508 06-29-2015 06:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/373K_38.tpr 14780820 06-29-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/373K_38.trr 375 06-29-2015 06:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/cgPEO_373K_38_Equil.o4060046 41849 06-29-2015 06:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/grompp.log 64662 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/index.ndx 10399 06-29-2015 06:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/mdout-373K_38.mdp 35820 06-29-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/mdrun.log 10601 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/mol_types_373K_38.itp 233 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/run_gmx.sh 331824 06-29-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/state.cpt 331824 06-29-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Equil/table_b0.xvg 0 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/ 7533 06-29-2015 10:45 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/#mdrun.log.1# 277632 06-29-2015 10:45 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/373K_38.confout.gro 5541476 06-29-2015 10:45 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/373K_38.edr 2106 06-29-2015 05:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/373K_38.mdp 9788 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/373K_38.top 246508 06-29-2015 08:09 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/373K_38.tpr 1449389820 06-29-2015 10:45 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/373K_38.trr 295656 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/Rg.xvg 14784 06-29-2015 14:53 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/Rg_index.ndx 1330 06-29-2015 11:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/bonds.xvg 894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/calc_Rg.sh 1894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/calc_dist.sh 371 06-29-2015 08:09 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/cgPEO_373K_38_Prodrun.o4060059 4097 06-29-2015 12:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/cgPEO_calcRg.o4060461 6268 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/cgPEO_calcRg.o4060808 46448 06-29-2015 12:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/cgPEO_calcdist.o4060442 94019 06-29-2015 11:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/distance.xvg 41924 06-29-2015 08:09 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/grompp.log 64662 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/index.ndx 10395 06-29-2015 08:09 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/mdout-373K_38.mdp 1813429 06-29-2015 10:45 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/mdrun.log 10601 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/mol_types_373K_38.itp 235 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/qsub_xv_calcdist.sh 31838 06-29-2015 12:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/rdf_C-C.xvg 31836 06-29-2015 12:15 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/rdf_C-Na.xvg 31838 06-29-2015 12:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/rdf_C-S.xvg 31838 06-29-2015 12:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/rdf_Na-Na.xvg 31836 06-29-2015 12:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/rdf_S-Na.xvg 31834 06-29-2015 12:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/run_gmx.sh 331824 06-29-2015 10:45 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/state.cpt 331824 06-29-2015 10:45 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_38/Prod_run/table_b0.xvg 0 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/ 0 06-29-2015 05:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/ 5942 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/#mdrun.log.1# 196876 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/373K_50.1frame.gro 196875 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/373K_50.Emin.gro 2117 06-29-2015 05:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/373K_50.Emin.mdp 28300 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/373K_50.edr 9787 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/373K_50.top 264672 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/373K_50.tpr 210116 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/373K_50.trr 37 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/cgPEO_373K_50_Emin.o4060024 41778 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/grompp.log 68221 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/index.ndx 248 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/make_bond_index.py 10414 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/mdout-373K_50.mdp 34978 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/mdrun.log 10602 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/mol_types_373K_50.itp 231 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/qsub_cgsim_Emin.sh 231 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/qsub_xv.sh 2097 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/run_gmx.sh 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Emin/table_b0.xvg 0 06-29-2015 07:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/ 7540 06-29-2015 06:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/#mdrun.log.1# 2105 06-29-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/373K_50.Equil.mdp 301851 06-29-2015 06:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/373K_50.confout.gro 56876 06-29-2015 06:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/373K_50.edr 9787 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/373K_50.top 264672 06-29-2015 06:16 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/373K_50.tpr 16069692 06-29-2015 06:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/373K_50.trr 374 06-29-2015 06:16 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/cgPEO_373K_50_Equil.o4060047 41881 06-29-2015 06:16 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/grompp.log 68221 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/index.ndx 10398 06-29-2015 06:16 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/mdout-373K_50.mdp 35826 06-29-2015 06:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/mdrun.log 10602 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/mol_types_373K_50.itp 232 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/qsub_cgsim_Equil.sh 233 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/qsub_xv.sh 2111 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/run_gmx.sh 357096 06-29-2015 06:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/state.cpt 357096 06-29-2015 06:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Equil/table_b0.xvg 0 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/ 7511 06-29-2015 11:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/#mdrun.log.1# 301851 06-29-2015 11:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/373K_50.confout.gro 5541476 06-29-2015 11:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/373K_50.edr 2104 06-29-2015 05:11 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/373K_50.mdp 9787 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/373K_50.top 264672 06-29-2015 08:12 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/373K_50.tpr 1575775092 06-29-2015 11:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/373K_50.trr 295656 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/Rg.xvg 14784 06-29-2015 14:53 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/Rg_index.ndx 1330 06-29-2015 12:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/bonds.xvg 894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/calc_Rg.sh 1894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/calc_dist.sh 369 06-29-2015 08:12 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/cgPEO_373K_50_Prodrun.o4060060 4119 06-29-2015 12:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/cgPEO_calcRg.o4060462 6263 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/cgPEO_calcRg.o4060807 46425 06-29-2015 12:28 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/cgPEO_calcdist.o4060444 94019 06-29-2015 12:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/distance.xvg 41864 06-29-2015 08:12 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/grompp.log 68221 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/index.ndx 10394 06-29-2015 08:12 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/mdout-373K_50.mdp 1813626 06-29-2015 11:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/mdrun.log 10602 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/mol_types_373K_50.itp 235 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/qsub_xv_calcdist.sh 31926 06-29-2015 12:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/rdf_C-C.xvg 31926 06-29-2015 12:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/rdf_C-Na.xvg 31926 06-29-2015 12:09 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/rdf_C-S.xvg 31926 06-29-2015 12:28 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/rdf_Na-Na.xvg 31924 06-29-2015 12:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/rdf_S-Na.xvg 31926 06-29-2015 12:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/run_gmx.sh 357096 06-29-2015 11:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/state.cpt 357096 06-29-2015 11:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_50/Prod_run/table_b0.xvg 0 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/ 0 06-29-2015 05:43 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/ 5942 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/#mdrun.log.1# 213886 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/373K_63.1frame.gro 213885 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/373K_63.Emin.gro 2117 06-29-2015 05:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/373K_63.Emin.mdp 32656 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/373K_63.edr 9791 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/373K_63.top 284452 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/373K_63.tpr 228260 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/373K_63.trr 37 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/cgPEO_373K_63_Emin.o4060025 41778 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/grompp.log 72050 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/index.ndx 10415 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/mdout-373K_63.mdp 38099 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/mdrun.log 10602 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/mol_types_373K_63.itp 231 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/qsub_cgsim_Emin.sh 2097 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/run_gmx.sh 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Emin/table_b0.xvg 0 06-29-2015 07:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/ 7541 06-29-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/#mdrun.log.1# 2103 06-29-2015 05:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/373K_63.Equil.mdp 327933 06-29-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/373K_63.confout.gro 56876 06-29-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/373K_63.edr 9791 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/373K_63.top 284452 06-29-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/373K_63.tpr 17457708 06-29-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/373K_63.trr 375 06-29-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/cgPEO_373K_63_Equil.o4060048 41933 06-29-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/grompp.log 72050 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/index.ndx 10399 06-29-2015 06:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/mdout-373K_63.mdp 35827 06-29-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/mdrun.log 10602 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/mol_types_373K_63.itp 233 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/run_gmx.sh 384312 06-29-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/state.cpt 384312 06-29-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Equil/table_b0.xvg 0 07-03-2015 10:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/ 7516 06-29-2015 11:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/#mdrun.log.1# 327933 06-29-2015 11:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/373K_63.confout.gro 5541476 06-29-2015 11:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/373K_63.edr 2106 06-29-2015 05:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/373K_63.mdp 9791 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/373K_63.top 284452 06-29-2015 08:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/373K_63.tpr --------- ------- 4429565168 288 files ===================================================== Content of ZIP archive 09.23.14-093.zip ===================================================== Archive: 09.23.14-093.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 06-29-2015 11:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/373K_63.trr 295656 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/Rg.xvg 14784 06-29-2015 14:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/Rg_index.ndx 1330 06-29-2015 12:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/bonds.xvg 894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/calc_Rg.sh 1894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/calc_dist.sh 375 06-29-2015 08:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/cgPEO_373K_63_Prodrun.o4060061 4113 06-29-2015 12:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/cgPEO_calcRg.o4060463 6268 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/cgPEO_calcRg.o4060806 46407 06-29-2015 12:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/cgPEO_calcdist.o4060445 94019 06-29-2015 12:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/distance.xvg 41883 06-29-2015 08:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/grompp.log 72050 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/index.ndx 10395 06-29-2015 08:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/mdout-373K_63.mdp 1813620 06-29-2015 11:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/mdrun.log 10602 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/mol_types_373K_63.itp 235 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/qsub_xv_calcdist.sh 31990 06-29-2015 12:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/rdf_C-C.xvg 31992 06-29-2015 12:11 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/rdf_C-Na.xvg 31991 06-29-2015 12:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/rdf_C-S.xvg 31991 06-29-2015 12:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/rdf_Na-Na.xvg 31989 06-29-2015 12:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/rdf_S-Na.xvg 31988 06-29-2015 12:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/run_gmx.sh 384312 06-29-2015 11:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/state.cpt 384312 06-29-2015 11:35 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_63/Prod_run/table_b0.xvg 0 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/ 0 06-29-2015 05:43 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/ 6294 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/#mdrun.log.1# 229682 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/373K_75.1frame.gro 229680 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/373K_75.Emin.gro 2117 06-29-2015 05:15 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/373K_75.Emin.mdp 11272 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/373K_75.edr 9786 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/373K_75.top 302548 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/373K_75.tpr 245108 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/373K_75.trr 104 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/cgPEO_373K_75_Emin.o4060026 41791 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/grompp.log 75606 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/index.ndx 10414 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/mdout-373K_75.mdp 24286 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/mdrun.log 10603 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/mol_types_373K_75.itp 231 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/qsub_cgsim_Emin.sh 2101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/run_gmx.sh 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Emin/table_b0.xvg 0 06-29-2015 07:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/ 7525 06-29-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/#mdrun.log.1# 2103 06-29-2015 05:15 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/373K_75.Equil.mdp 352152 06-29-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/373K_75.confout.gro 56876 06-29-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/373K_75.edr 9786 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/373K_75.top 302548 06-29-2015 06:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/373K_75.tpr 18746580 06-29-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/373K_75.trr 375 06-29-2015 06:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/cgPEO_373K_75_Equil.o4060049 41903 06-29-2015 06:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/grompp.log 75606 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/index.ndx 10398 06-29-2015 06:36 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/mdout-373K_75.mdp 35827 06-29-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/mdrun.log 10603 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/mol_types_373K_75.itp 233 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/run_gmx.sh 409584 06-29-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/state.cpt 409584 06-29-2015 06:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Equil/table_b0.xvg 0 07-03-2015 10:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/ 7534 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/#mdrun.log.1# 352152 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/373K_75.confout.gro 5541476 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/373K_75.edr 2106 06-29-2015 05:15 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/373K_75.mdp 9786 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/373K_75.top 302548 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/373K_75.tpr 1838267580 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/373K_75.trr 295640 06-29-2015 14:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/Rg.xvg 14784 06-29-2015 14:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/Rg_index.ndx 1330 06-29-2015 12:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/bonds.xvg 894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/calc_Rg.sh 1894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/calc_dist.sh 375 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/cgPEO_373K_75_Prodrun.o4060062 4124 06-29-2015 12:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/cgPEO_calcRg.o4060464 6312 06-29-2015 14:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/cgPEO_calcRg.o4060805 46340 06-29-2015 12:43 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/cgPEO_calcdist.o4060465 94019 06-29-2015 12:04 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/distance.xvg 41847 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/grompp.log 75606 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/index.ndx 10394 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/mdout-373K_75.mdp 1813694 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/mdrun.log 10603 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/mol_types_373K_75.itp 235 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/qsub_xv_calcdist.sh 32033 06-29-2015 12:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/rdf_C-C.xvg 32034 06-29-2015 12:12 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/rdf_C-Na.xvg 32034 06-29-2015 12:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/rdf_C-S.xvg 32036 06-29-2015 12:43 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/rdf_Na-Na.xvg 32035 06-29-2015 12:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/rdf_S-Na.xvg 32035 06-29-2015 12:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/run_gmx.sh 409584 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/state.cpt 409584 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_75/Prod_run/table_b0.xvg 0 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/ 0 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/ 6273 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/#mdrun.log.1# 240616 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/373K_83.1frame.gro 240615 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/373K_83.Emin.gro 2116 06-29-2015 05:16 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/373K_83.Emin.mdp 18004 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/373K_83.edr 9791 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/373K_83.top 315028 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/373K_83.tpr 256772 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/373K_83.trr 104 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/cgPEO_373K_83_Emin.o4060027 41795 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/grompp.log 78069 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/index.ndx 10414 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/mdout-373K_83.mdp 29348 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/mdrun.log 10604 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/mol_types_373K_83.itp 231 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/qsub_cgsim_Emin.sh 2101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/run_gmx.sh 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Emin/table_b0.xvg 0 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/ 7551 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/#mdrun.log.1# 2102 06-29-2015 05:16 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/373K_83.Equil.mdp 368919 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/373K_83.confout.gro 56876 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/373K_83.edr 9791 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/373K_83.top 315028 06-29-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/373K_83.tpr 19638876 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/373K_83.trr 375 06-29-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/cgPEO_373K_83_Equil.o4060050 41881 06-29-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/grompp.log 78069 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/index.ndx 10398 06-29-2015 06:42 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/mdout-373K_83.mdp 35820 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/mdrun.log 10604 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/mol_types_373K_83.itp 233 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/run_gmx.sh 427080 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/state.cpt 427080 06-29-2015 07:07 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Equil/table_b0.xvg 0 07-03-2015 10:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/ 7512 06-29-2015 12:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/#mdrun.log.1# 368919 06-29-2015 12:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/373K_83.confout.gro 5541476 06-29-2015 12:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/373K_83.edr 2105 06-29-2015 05:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/373K_83.mdp 9791 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/373K_83.top 315028 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/373K_83.tpr --------- ------- 3618289689 190 files ===================================================== Content of ZIP archive 09.23.14-094.zip ===================================================== Archive: 09.23.14-094.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 06-29-2015 12:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/373K_83.trr 295652 06-29-2015 14:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/Rg.xvg 14784 06-29-2015 14:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/Rg_index.ndx 1330 06-29-2015 12:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/bonds.xvg 894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/calc_Rg.sh 1894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/calc_dist.sh 375 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/cgPEO_373K_83_Prodrun.o4060063 4141 06-29-2015 12:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/cgPEO_calcRg.o4060487 6277 06-29-2015 14:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/cgPEO_calcRg.o4060804 46460 06-29-2015 13:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/cgPEO_calcdist.o4060486 94019 06-29-2015 12:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/distance.xvg 41847 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/grompp.log 78069 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/index.ndx 10394 06-29-2015 08:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/mdout-373K_83.mdp 1813757 06-29-2015 12:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/mdrun.log 10604 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/mol_types_373K_83.itp 235 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/qsub_xv_calcdist.sh 31968 06-29-2015 12:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/rdf_C-C.xvg 31967 06-29-2015 12:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/rdf_C-Na.xvg 31968 06-29-2015 12:24 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/rdf_C-S.xvg 31969 06-29-2015 13:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/rdf_Na-Na.xvg 31968 06-29-2015 12:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/rdf_S-Na.xvg 31967 06-29-2015 12:38 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/run_gmx.sh 427080 06-29-2015 12:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/state.cpt 427080 06-29-2015 12:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/state_prev.cpt 389098 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/table.xvg 58362 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/table_C_C.xvg 58621 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/table_C_S.xvg 58547 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/table_S_S.xvg 10101 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_373K_83/Prod_run/table_b0.xvg 0 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/ 0 06-25-2015 03:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/ 6286 06-25-2015 03:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/#mdrun.log.1# 262487 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/423K_100.1frame.gro 262485 06-25-2015 03:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/423K_100.Emin.gro 2102 06-25-2015 03:28 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/423K_100.Emin.mdp 12640 06-25-2015 03:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/423K_100.edr 1391 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/423K_100.top 306228 06-25-2015 03:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/423K_100.tpr 280100 06-25-2015 03:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/423K_100.trr 104 06-25-2015 03:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/cgPEO_423K_100_Emin.o4056953 3422 06-25-2015 03:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/grompp.log 82987 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/index.ndx 10401 06-25-2015 03:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/mdout-423K_100.mdp 26043 06-25-2015 03:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/mdrun.log 544 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/mol_types_423K_100.itp 232 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/qsub_cgsim_Emin.sh 2102 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/run_gmx.sh 389098 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/table.xvg 58362 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/table_C_C.xvg 58621 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/table_C_Na.xvg 58326 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/table_C_S.xvg 58547 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/table_Na_Na.xvg 58502 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/table_S_Na.xvg 58377 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/table_S_S.xvg 10101 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Emin/table_b0.xvg 0 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/ 7411 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/#mdrun.log.1# 2089 06-25-2015 03:28 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/423K_100.Equil.mdp 402453 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/423K_100.confout.gro 49460 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/423K_100.edr 1391 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/423K_100.top 306228 06-25-2015 03:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/423K_100.tpr 21423468 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/423K_100.trr 375 06-25-2015 03:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/cgPEO_423K_100_Equil.o4056954 3529 06-25-2015 03:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/grompp.log 82987 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/index.ndx 10385 06-25-2015 03:33 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/mdout-423K_100.mdp 34891 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/mdrun.log 544 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/mol_types_423K_100.itp 234 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/qsub_cgsim_Equil.sh 2112 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/run_gmx.sh 461928 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/state.cpt 461928 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/state_prev.cpt 389098 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/table.xvg 58362 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/table_C_C.xvg 58621 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/table_C_Na.xvg 58326 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/table_C_S.xvg 58547 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/table_Na_Na.xvg 58502 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/table_S_Na.xvg 58377 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/table_S_S.xvg 10101 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Equil/table_b0.xvg 0 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/ 7471 06-25-2015 07:38 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/#mdrun.log.1# 402453 06-25-2015 07:38 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/423K_100.confout.gro 4821260 06-25-2015 07:38 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/423K_100.edr 2092 06-25-2015 03:28 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/423K_100.mdp 1391 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/423K_100.top 306228 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/423K_100.tpr 2100760068 06-25-2015 07:38 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/423K_100.trr 295626 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/Rg.xvg 14784 06-29-2015 14:53 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/Rg_index.ndx 1311 06-25-2015 09:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/bonds.xvg 895 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/calc_Rg.sh 1907 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/calc_dist.sh 375 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/cgPEO_398K_100_Prodrun.o4056958 4120 06-29-2015 12:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/cgPEO_calcRg.o4060459 4115 06-29-2015 14:49 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/cgPEO_calcRg.o4060792 6279 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/cgPEO_calcRg.o4060816 25800 06-25-2015 09:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/cgPEO_calcdist.o4056973 94019 06-25-2015 09:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/distance.xvg 3568 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/grompp.log 82987 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/index.ndx 10381 06-25-2015 03:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/mdout-423K_100.mdp 1812749 06-25-2015 07:38 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/mdrun.log 544 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/mol_types_423K_100.itp 236 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/qsub_cgsim_NVT.sh 220 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/qsub_xv_calcRg.sh 229 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/qsub_xv_calcdist.sh 32409 06-25-2015 09:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/rdf_Na-Na.xvg 32408 06-25-2015 09:37 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/rdf_S-Na.xvg 32411 06-25-2015 09:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/rdf_S-S.xvg 2110 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/run_gmx.sh 461928 06-25-2015 07:38 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/state.cpt 461928 06-25-2015 07:38 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/state_prev.cpt 389098 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/table.xvg 58362 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/table_C_C.xvg 58621 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/table_C_Na.xvg 58326 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/table_C_S.xvg 58547 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/table_Na_Na.xvg 58502 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/table_S_Na.xvg 58377 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/table_S_S.xvg 10101 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_100/Prod_run/table_b0.xvg 0 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/ 0 06-25-2015 03:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/ 5947 06-25-2015 03:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/#mdrun.log.1# 164067 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/423K_25.1frame.gro 164070 06-25-2015 03:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/423K_25.Emin.gro 2118 06-25-2015 03:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/423K_25.Emin.mdp 24736 06-25-2015 03:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/423K_25.edr 9790 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/423K_25.top 226728 06-25-2015 03:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/423K_25.tpr 175124 06-25-2015 03:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/423K_25.trr 38 06-25-2015 03:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/cgPEO_423K_25_Emin.o4056947 41762 06-25-2015 03:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/grompp.log 60831 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/index.ndx 10415 06-25-2015 03:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/mdout-423K_25.mdp 32293 06-25-2015 03:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/mdrun.log 10604 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/mol_types_423K_25.itp 231 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/qsub_cgsim_Emin.sh 2097 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/run_gmx.sh 389098 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/table.xvg 58362 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/table_C_C.xvg 58621 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/table_C_Na.xvg 58326 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/table_C_S.xvg 58547 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/table_Na_Na.xvg 58502 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/table_S_Na.xvg 58377 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/table_S_S.xvg 10101 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Emin/table_b0.xvg 0 06-25-2015 03:37 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/ 7405 06-25-2015 03:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/#mdrun.log.1# 2104 06-25-2015 03:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/423K_25.Equil.mdp 251550 06-25-2015 03:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/423K_25.confout.gro 56876 06-25-2015 03:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/423K_25.edr 9790 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/423K_25.top 226728 06-25-2015 03:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/423K_25.tpr 13392804 06-25-2015 03:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/423K_25.trr 375 06-25-2015 03:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/cgPEO_423K_25_Equil.o4056948 41884 06-25-2015 03:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/grompp.log 60831 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/index.ndx 10399 06-25-2015 03:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/mdout-423K_25.mdp 35644 06-25-2015 03:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/mdrun.log 10604 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/mol_types_423K_25.itp 233 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/qsub_cgsim_Equil.sh 2111 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/run_gmx.sh 304608 06-25-2015 03:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/state.cpt 389098 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/table.xvg 58362 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/table_C_C.xvg 58621 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/table_C_Na.xvg 58326 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/table_C_S.xvg 58547 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/table_Na_Na.xvg 58502 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/table_S_Na.xvg 58377 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/table_S_S.xvg 10101 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Equil/table_b0.xvg 0 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/ 7519 06-25-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/#mdrun.log.1# 251550 06-25-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/423K_25.confout.gro 5541476 06-25-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/423K_25.edr 2107 06-25-2015 03:18 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/423K_25.mdp 9790 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/423K_25.top 226728 06-25-2015 03:37 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/423K_25.tpr --------- ------- 4089313173 187 files ===================================================== Content of ZIP archive 09.23.14-095.zip ===================================================== Archive: 09.23.14-095.zip Length Date Time Name --------- ---------- ----- ---- 1313282604 06-25-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/423K_25.trr 295656 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/Rg.xvg 14784 06-29-2015 14:53 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/Rg_index.ndx 1330 06-25-2015 07:11 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/bonds.xvg 894 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/calc_Rg.sh 1894 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/calc_dist.sh 375 06-25-2015 03:37 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/cgPEO_423K_25_Prodrun.o4056955 4147 06-29-2015 12:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/cgPEO_calcRg.o4060453 4117 06-29-2015 14:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/cgPEO_calcRg.o4060795 6268 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/cgPEO_calcRg.o4060810 46360 06-25-2015 07:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/cgPEO_calcdist.o4056959 94019 06-25-2015 07:11 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/distance.xvg 41876 06-25-2015 03:37 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/grompp.log 60831 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/index.ndx 10395 06-25-2015 03:37 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/mdout-423K_25.mdp 1813436 06-25-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/mdrun.log 10604 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/mol_types_423K_25.itp 235 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/qsub_cgsim_NVT.sh 220 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/qsub_xv_calcRg.sh 229 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/qsub_xv_calcdist.sh 31573 06-25-2015 07:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/rdf_C-C.xvg 31571 06-25-2015 07:28 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/rdf_C-Na.xvg 31574 06-25-2015 07:24 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/rdf_C-S.xvg 31571 06-25-2015 07:32 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/rdf_Na-Na.xvg 31571 06-25-2015 07:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/rdf_S-Na.xvg 31571 06-25-2015 07:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/rdf_S-S.xvg 2109 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/run_gmx.sh 304608 06-25-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/state.cpt 304608 06-25-2015 06:08 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/state_prev.cpt 389098 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/table.xvg 58362 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/table_C_C.xvg 58621 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/table_C_Na.xvg 58326 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/table_C_S.xvg 58547 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/table_Na_Na.xvg 58502 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/table_S_Na.xvg 58377 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/table_S_S.xvg 10101 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_25/Prod_run/table_b0.xvg 0 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/ 0 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/ 5974 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/#mdrun.log.1# 181082 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/423K_38.1frame.gro 181080 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/423K_38.Emin.gro 2115 06-29-2015 04:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/423K_38.Emin.mdp 14440 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/423K_38.edr 9789 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/423K_38.top 246508 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/423K_38.tpr 193268 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/423K_38.trr 38 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/cgPEO_423K_38_Emin.o4060019 41839 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/grompp.log 64662 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/index.ndx 10413 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/mdout-423K_38.mdp 24709 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/mdrun.log 10601 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/mol_types_423K_38.itp 231 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/qsub_cgsim_Emin.sh 2097 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/run_gmx.sh 389098 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/table.xvg 58362 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/table_C_C.xvg 58621 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/table_C_Na.xvg 58326 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/table_C_S.xvg 58547 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/table_Na_Na.xvg 58502 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/table_S_Na.xvg 58377 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/table_S_S.xvg 10101 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Emin/table_b0.xvg 0 06-29-2015 05:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/ 7420 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/#mdrun.log.1# 2101 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/423K_38.Equil.mdp 277632 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/423K_38.confout.gro 56876 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/423K_38.edr 9789 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/423K_38.top 246508 06-29-2015 05:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/423K_38.tpr 14780820 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/423K_38.trr 371 06-29-2015 05:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/cgPEO_423K_38_Equil.o4060020 41877 06-29-2015 05:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/grompp.log 64662 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/index.ndx 10397 06-29-2015 05:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/mdout-423K_38.mdp 35640 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/mdrun.log 10601 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/mol_types_423K_38.itp 233 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/run_gmx.sh 331824 06-29-2015 05:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/state.cpt 389098 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/table.xvg 58362 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/table_C_C.xvg 58621 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/table_C_Na.xvg 58326 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/table_C_S.xvg 58547 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/table_Na_Na.xvg 58502 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/table_S_Na.xvg 58377 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/table_S_S.xvg 10101 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Equil/table_b0.xvg 0 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/ 7528 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/#mdrun.log.1# 277632 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/423K_38.confout.gro 5541476 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/423K_38.edr 2104 06-29-2015 05:00 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/423K_38.mdp 9789 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/423K_38.top 246508 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/423K_38.tpr 1449389820 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/423K_38.trr 295656 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/Rg.xvg 14784 06-29-2015 14:53 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/Rg_index.ndx 1330 06-29-2015 11:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/bonds.xvg 894 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/calc_Rg.sh 1894 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/calc_dist.sh 374 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/cgPEO_423K_38_Prodrun.o4060042 4126 06-29-2015 12:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/cgPEO_calcRg.o4060454 6268 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/cgPEO_calcRg.o4060811 46423 06-29-2015 12:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/cgPEO_calcdist.o4060438 94019 06-29-2015 11:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/distance.xvg 41854 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/grompp.log 64662 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/index.ndx 10393 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/mdout-423K_38.mdp 1813373 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/mdrun.log 10601 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/mol_types_423K_38.itp 235 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/qsub_xv_calcdist.sh 32079 06-29-2015 12:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/rdf_C-C.xvg 32080 06-29-2015 12:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/rdf_C-Na.xvg 32079 06-29-2015 12:09 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/rdf_C-S.xvg 32078 06-29-2015 12:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/rdf_Na-Na.xvg 32077 06-29-2015 12:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/rdf_S-Na.xvg 32078 06-29-2015 12:16 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/run_gmx.sh 331824 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/state.cpt 331824 06-29-2015 08:06 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/state_prev.cpt 389098 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/table.xvg 58362 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/table_C_C.xvg 58621 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/table_C_S.xvg 58547 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/table_S_S.xvg 10101 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_38/Prod_run/table_b0.xvg 0 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/ 0 06-25-2015 03:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/ 5986 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/#mdrun.log.1# 196876 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/423K_50.1frame.gro 196875 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/423K_50.Emin.gro 2115 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/423K_50.Emin.mdp 23548 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/423K_50.edr 9790 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/423K_50.top 264676 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/423K_50.tpr 210116 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/423K_50.trr 38 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/cgPEO_423K_50_Emin.o4056949 41769 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/grompp.log 68220 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/index.ndx 10412 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/mdout-423K_50.mdp 31400 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/mdrun.log 10604 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/mol_types_423K_50.itp 231 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/qsub_cgsim_Emin.sh 2097 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/run_gmx.sh 389098 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/table.xvg 58362 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/table_C_C.xvg 58621 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/table_C_Na.xvg 58326 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/table_C_S.xvg 58547 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/table_Na_Na.xvg 58502 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/table_S_Na.xvg 58377 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/table_S_S.xvg 10101 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Emin/table_b0.xvg 0 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/ 7418 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/#mdrun.log.1# 2101 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/423K_50.Equil.mdp 301851 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/423K_50.confout.gro 56876 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/423K_50.edr 9790 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/423K_50.top 264676 06-25-2015 03:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/423K_50.tpr 16069692 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/423K_50.trr 375 06-25-2015 03:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/cgPEO_423K_50_Equil.o4056950 41903 06-25-2015 03:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/grompp.log 68220 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/index.ndx 10396 06-25-2015 03:23 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/mdout-423K_50.mdp 35700 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/mdrun.log 10604 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/mol_types_423K_50.itp 233 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/qsub_cgsim_Equil.sh 2111 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/run_gmx.sh 357096 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/state.cpt 357096 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/state_prev.cpt 389098 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/table.xvg 58362 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/table_C_C.xvg 58621 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/table_C_Na.xvg 58326 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/table_C_S.xvg 58547 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/table_Na_Na.xvg 58502 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/table_S_Na.xvg 58377 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/table_S_S.xvg 10101 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Equil/table_b0.xvg 0 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/ 7432 06-25-2015 06:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/#mdrun.log.1# 301851 06-25-2015 06:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/423K_50.confout.gro 5541476 06-25-2015 06:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/423K_50.edr 2104 06-25-2015 03:22 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/423K_50.mdp 9790 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/423K_50.top 264676 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/423K_50.tpr 1575775092 06-25-2015 06:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/423K_50.trr 295656 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/Rg.xvg 14784 06-29-2015 14:53 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/Rg_index.ndx 1330 06-25-2015 07:12 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/bonds.xvg 894 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/calc_Rg.sh 1894 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/calc_dist.sh 375 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/cgPEO_423K_50_Prodrun.o4056956 4118 06-29-2015 12:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/cgPEO_calcRg.o4060455 4099 06-29-2015 14:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/cgPEO_calcRg.o4060794 6270 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/cgPEO_calcRg.o4060812 46404 06-25-2015 07:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/cgPEO_calcdist.o4056960 94019 06-25-2015 07:12 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/distance.xvg 41884 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/grompp.log 68220 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/index.ndx 10392 06-25-2015 03:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/mdout-423K_50.mdp 1813333 06-25-2015 06:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/mdrun.log 10604 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/mol_types_423K_50.itp 235 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/qsub_cgsim_NVT.sh 220 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/qsub_xv_calcRg.sh 229 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/qsub_xv_calcdist.sh 32208 06-25-2015 07:16 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/rdf_C-C.xvg 32210 06-25-2015 07:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/rdf_C-Na.xvg 32211 06-25-2015 07:21 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/rdf_C-S.xvg 32211 06-25-2015 07:39 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/rdf_Na-Na.xvg 32210 06-25-2015 07:34 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/rdf_S-Na.xvg 32211 06-25-2015 07:30 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/rdf_S-S.xvg 2109 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/run_gmx.sh 357096 06-25-2015 06:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/state.cpt 357096 06-25-2015 06:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/state_prev.cpt 389098 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/table.xvg 58362 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/table_C_C.xvg 58621 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/table_C_Na.xvg 58326 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/table_C_S.xvg 58547 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/table_Na_Na.xvg 58502 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/table_S_Na.xvg 58377 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/table_S_S.xvg 10101 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_50/Prod_run/table_b0.xvg 0 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/ 0 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/ 5979 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/#mdrun.log.1# 213886 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/423K_63.1frame.gro 213885 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/423K_63.Emin.gro 2116 06-29-2015 04:57 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/423K_63.Emin.mdp 14044 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/423K_63.edr 9788 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/423K_63.top 284452 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/423K_63.tpr 228260 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/423K_63.trr 38 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/cgPEO_423K_63_Emin.o4060017 41764 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/grompp.log 72050 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/index.ndx 10414 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/mdout-423K_63.mdp 24438 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/mdrun.log 10602 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/mol_types_423K_63.itp 231 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/qsub_cgsim_Emin.sh 2097 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/run_gmx.sh 389098 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/table.xvg 58362 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/table_C_C.xvg 58621 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/table_C_Na.xvg 58326 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/table_C_S.xvg 58547 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/table_Na_Na.xvg 58502 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/table_S_Na.xvg 58377 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/table_S_S.xvg 10101 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Emin/table_b0.xvg 0 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/ 7521 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/#mdrun.log.1# 2102 06-29-2015 04:57 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/423K_63.Equil.mdp 327933 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/423K_63.confout.gro 56876 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/423K_63.edr 9788 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/423K_63.top 284452 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/423K_63.tpr 17457708 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/423K_63.trr 373 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/cgPEO_423K_63_Equil.o4060018 41918 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/grompp.log 72050 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/index.ndx 10398 06-29-2015 04:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/mdout-423K_63.mdp 35825 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/mdrun.log 10602 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/mol_types_423K_63.itp 233 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/run_gmx.sh 384312 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/state.cpt 384312 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/state_prev.cpt 389098 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/table.xvg 58362 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/table_C_C.xvg 58621 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/table_C_Na.xvg 58326 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/table_C_S.xvg 58547 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/table_Na_Na.xvg 58502 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/table_S_Na.xvg 58377 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/table_S_S.xvg 10101 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Equil/table_b0.xvg 0 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/ 7542 06-29-2015 08:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/#mdrun.log.1# 327933 06-29-2015 08:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/423K_63.confout.gro 5541476 06-29-2015 08:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/423K_63.edr 2105 06-29-2015 04:57 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/423K_63.mdp 9788 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/423K_63.top 284452 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/423K_63.tpr --------- ------- 4429142252 286 files ===================================================== Content of ZIP archive 09.23.14-096.zip ===================================================== Archive: 09.23.14-096.zip Length Date Time Name --------- ---------- ----- ---- 1711882308 06-29-2015 08:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/423K_63.trr 295643 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/Rg.xvg 14784 06-29-2015 14:53 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/Rg_index.ndx 1330 06-29-2015 11:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/bonds.xvg 894 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/calc_Rg.sh 1894 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/calc_dist.sh 368 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/cgPEO_423K_63_Prodrun.o4060043 4124 06-29-2015 12:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/cgPEO_calcRg.o4060456 6266 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/cgPEO_calcRg.o4060813 46393 06-29-2015 12:31 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/cgPEO_calcdist.o4060439 94019 06-29-2015 11:58 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/distance.xvg 41856 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/grompp.log 72050 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/index.ndx 10394 06-29-2015 05:44 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/mdout-423K_63.mdp 1813569 06-29-2015 08:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/mdrun.log 10602 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/mol_types_423K_63.itp 235 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/qsub_xv_calcdist.sh 32297 06-29-2015 12:01 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/rdf_C-C.xvg 32299 06-29-2015 12:10 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/rdf_C-Na.xvg 32298 06-29-2015 12:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/rdf_C-S.xvg 32298 06-29-2015 12:31 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/rdf_Na-Na.xvg 32297 06-29-2015 12:24 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/rdf_S-Na.xvg 32300 06-29-2015 12:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/run_gmx.sh 384312 06-29-2015 08:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/state.cpt 384312 06-29-2015 08:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/state_prev.cpt 389098 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/table.xvg 58362 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/table_C_C.xvg 58621 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/table_C_S.xvg 58547 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/table_S_S.xvg 10101 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_63/Prod_run/table_b0.xvg 0 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/ 0 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/ 5971 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/#mdrun.log.1# 229682 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/423K_75.1frame.gro 229680 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/423K_75.Emin.gro 2113 06-25-2015 03:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/423K_75.Emin.mdp 13648 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/423K_75.edr 9791 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/423K_75.top 302548 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/423K_75.tpr 245108 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/423K_75.trr 38 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/cgPEO_423K_75_Emin.o4056951 41762 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/grompp.log 75606 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/index.ndx 10410 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/mdout-423K_75.mdp 24168 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/mdrun.log 10603 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/mol_types_423K_75.itp 231 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/qsub_cgsim_Emin.sh 2097 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/run_gmx.sh 389098 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/table.xvg 58362 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/table_C_C.xvg 58621 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/table_C_Na.xvg 58326 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/table_C_S.xvg 58547 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/table_Na_Na.xvg 58502 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/table_S_Na.xvg 58377 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/table_S_S.xvg 10101 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Emin/table_b0.xvg 0 06-25-2015 03:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/ 7419 06-25-2015 03:46 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/#mdrun.log.1# 2099 06-25-2015 03:25 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/423K_75.Equil.mdp 352152 06-25-2015 03:46 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/423K_75.confout.gro 56876 06-25-2015 03:46 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/423K_75.edr 9791 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/423K_75.top 302548 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/423K_75.tpr 18746580 06-25-2015 03:46 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/423K_75.trr 375 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/cgPEO_423K_75_Equil.o4056952 41859 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/grompp.log 75606 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/index.ndx 10394 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/mdout-423K_75.mdp 35645 06-25-2015 03:46 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/mdrun.log 10603 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/mol_types_423K_75.itp 233 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/qsub_cgsim_Equil.sh 2111 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/run_gmx.sh 409584 06-25-2015 03:46 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/state.cpt 409584 06-25-2015 03:46 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/state_prev.cpt 389098 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/table.xvg 58362 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/table_C_C.xvg 58621 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/table_C_Na.xvg 58326 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/table_C_S.xvg 58547 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/table_Na_Na.xvg 58502 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/table_S_Na.xvg 58377 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/table_S_S.xvg 10101 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Equil/table_b0.xvg 0 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/ 7405 06-25-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/#mdrun.log.1# 352152 06-25-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/423K_75.confout.gro 5541476 06-25-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/423K_75.edr 2102 06-25-2015 03:26 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/423K_75.mdp 9791 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/423K_75.top 302548 06-25-2015 03:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/423K_75.tpr 1838267580 06-25-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/423K_75.trr 295648 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/Rg.xvg 14784 06-29-2015 14:53 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/Rg_index.ndx 1330 06-25-2015 07:12 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/bonds.xvg 894 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/calc_Rg.sh 1894 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/calc_dist.sh 375 06-25-2015 03:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/cgPEO_423K_75_Prodrun.o4056957 4115 06-29-2015 12:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/cgPEO_calcRg.o4060457 4120 06-29-2015 14:49 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/cgPEO_calcRg.o4060793 6271 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/cgPEO_calcRg.o4060814 46411 06-25-2015 07:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/cgPEO_calcdist.o4056961 94019 06-25-2015 07:12 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/distance.xvg 41875 06-25-2015 03:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/grompp.log 75606 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/index.ndx 10390 06-25-2015 03:48 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/mdout-423K_75.mdp 1813388 06-25-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/mdrun.log 10603 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/mol_types_423K_75.itp 235 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/qsub_cgsim_NVT.sh 220 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/qsub_xv_calcRg.sh 229 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/qsub_xv_calcdist.sh 32297 06-25-2015 07:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/rdf_C-C.xvg 32299 06-25-2015 07:20 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/rdf_C-Na.xvg 32299 06-25-2015 07:17 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/rdf_C-S.xvg 32299 06-25-2015 07:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/rdf_Na-Na.xvg 32298 06-25-2015 07:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/rdf_S-Na.xvg 32299 06-25-2015 07:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/rdf_S-S.xvg 2109 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/run_gmx.sh 409584 06-25-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/state.cpt 409584 06-25-2015 06:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/state_prev.cpt 389098 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/table.xvg 58362 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/table_C_C.xvg 58621 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/table_C_Na.xvg 58326 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/table_C_S.xvg 58547 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/table_Na_Na.xvg 58502 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/table_S_Na.xvg 58377 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/table_S_S.xvg 10101 06-25-2015 03:13 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_75/Prod_run/table_b0.xvg 0 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/ 0 06-29-2015 04:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/ 5968 06-29-2015 04:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/#mdrun.log.1# 240616 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/423K_83.1frame.gro 240615 06-29-2015 04:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/423K_83.Emin.gro 2116 06-29-2015 04:54 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/423K_83.Emin.mdp 17608 06-29-2015 04:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/423K_83.edr 9783 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/423K_83.top 315028 06-29-2015 04:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/423K_83.tpr 256772 06-29-2015 04:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/423K_83.trr 38 06-29-2015 04:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/cgPEO_423K_83_Emin.o4060015 41761 06-29-2015 04:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/grompp.log 78069 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/index.ndx 10414 06-29-2015 04:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/mdout-423K_83.mdp 27119 06-29-2015 04:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/mdrun.log 10604 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/mol_types_423K_83.itp 231 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/qsub_cgsim_Emin.sh 2097 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/run_gmx.sh 389098 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/table.xvg 58362 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/table_C_C.xvg 58621 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/table_C_Na.xvg 58326 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/table_C_S.xvg 58547 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/table_Na_Na.xvg 58502 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/table_S_Na.xvg 58377 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/table_S_S.xvg 10101 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Emin/table_b0.xvg 0 06-29-2015 05:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/ 7582 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/#mdrun.log.1# 2102 06-29-2015 04:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/423K_83.Equil.mdp 368919 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/423K_83.confout.gro 56876 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/423K_83.edr 9783 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/423K_83.top 315028 06-29-2015 04:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/423K_83.tpr 19638876 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/423K_83.trr 375 06-29-2015 04:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/cgPEO_423K_83_Equil.o4060016 41889 06-29-2015 04:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/grompp.log 78069 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/index.ndx 10398 06-29-2015 04:56 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/mdout-423K_83.mdp 35827 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/mdrun.log 10604 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/mol_types_423K_83.itp 233 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/qsub_cgsim_Equil.sh 2111 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/run_gmx.sh 427080 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/state.cpt 427080 06-29-2015 05:19 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/state_prev.cpt 389098 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/table.xvg 58362 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/table_C_C.xvg 58621 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/table_C_Na.xvg 58326 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/table_C_S.xvg 58547 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/table_Na_Na.xvg 58502 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/table_S_Na.xvg 58377 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/table_S_S.xvg 10101 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Equil/table_b0.xvg 0 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/ 7540 06-29-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/#mdrun.log.1# 368919 06-29-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/423K_83.confout.gro 5541476 06-29-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/423K_83.edr 2105 06-29-2015 04:55 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/423K_83.mdp 9783 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/423K_83.top 315028 06-29-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/423K_83.tpr --------- ------- 3618295270 191 files ===================================================== Content of ZIP archive 09.23.14-097.zip ===================================================== Archive: 09.23.14-097.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 06-29-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/423K_83.trr 295648 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/Rg.xvg 14784 06-29-2015 14:53 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/Rg_index.ndx 1330 06-29-2015 11:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/bonds.xvg 894 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/calc_Rg.sh 1894 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/calc_dist.sh 375 06-29-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/cgPEO_423K_83_Prodrun.o4060044 4118 06-29-2015 12:03 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/cgPEO_calcRg.o4060458 6271 06-29-2015 15:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/cgPEO_calcRg.o4060815 46357 06-29-2015 12:41 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/cgPEO_calcdist.o4060440 94019 06-29-2015 11:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/distance.xvg 41886 06-29-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/grompp.log 78069 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/index.ndx 10394 06-29-2015 05:52 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/mdout-423K_83.mdp 1813751 06-29-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/mdrun.log 10604 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/mol_types_423K_83.itp 235 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/qsub_cgsim_NVT.sh 220 06-29-2015 04:51 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/qsub_xv_calcRg.sh 229 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/qsub_xv_calcdist.sh 32362 06-29-2015 11:59 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/rdf_C-C.xvg 32366 06-29-2015 12:05 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/rdf_C-Na.xvg 32364 06-29-2015 12:02 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/rdf_C-S.xvg 32365 06-29-2015 12:41 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/rdf_Na-Na.xvg 32364 06-29-2015 12:29 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/rdf_S-Na.xvg 32366 06-29-2015 12:16 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/rdf_S-S.xvg 2109 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/run_gmx.sh 427080 06-29-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/state.cpt 427080 06-29-2015 09:40 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/state_prev.cpt 389098 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/table.xvg 58362 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/table_C_C.xvg 58621 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/table_C_Na.xvg 58326 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/table_C_S.xvg 58547 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/table_Na_Na.xvg 58502 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/table_S_Na.xvg 58377 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/table_S_S.xvg 10101 06-29-2015 04:50 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/cgsim_scale_dielec_anal/cgsim_423K_83/Prod_run/table_b0.xvg 0 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/ 391 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/copy_forces.sh 3162 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_CC.dat 3193 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_CNa.dat 3131 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_CS.dat 3193 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_NaNa.dat 3286 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_SNa.dat 3069 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_SS.dat 2108 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_bond.dat 2108 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_struct.BondStretch.total.bonds.dat 3162 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_struct.Pair_Interaction.total.CC.dat 3193 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_struct.Pair_Interaction.total.CS.dat 3193 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_struct.Pair_Interaction.total.SS.dat 3949 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/f_zero.dat 1051 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/run.make_gmx4_table.sh 389098 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/table.xvg 58362 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/table_C_C.xvg 58621 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/table_C_Na.xvg 58326 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/table_C_S.xvg 58547 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/table_Na_Na.xvg 58502 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/table_S_Na.xvg 58377 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/table_S_S.xvg 10101 06-25-2015 03:14 09.23.14/CGFF/398K-423K_refxn_refCoul_scaled/edit/table_b0.xvg 0 01-30-2015 16:28 09.23.14/CGFF/398K_100/ 0 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/ 282920 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/398K_100.tpr 2015 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 7833 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/S.dat 7833 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/S_CONST.dat 2015 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 334166 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/cgff-PEO_398K_100.o3789909 2015 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2015 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2015 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/inp.txt 41747 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/log.txt 2607 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/out.total.txt 1742 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/par.txt 2065 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/qsub.sh 2060 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.FF.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.L.dat 1545763 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.M.dat 1508619 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.M2.dat 1763214 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.Nf.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.b_forces.dat 7788 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.b_struct.dat 1508619 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.d2M.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.d2b.dat 7870 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.g.dat 8551 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.g_cnt.dat 8551 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/save.rescale.dat 4216 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/ 282920 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/398K_100.tpr 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 7875 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/S.dat 7875 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/S_CONST.dat 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 340790 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/cgff-PEO_398K_100.o3789910 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/inp.txt 41791 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/log.txt 2607 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/out.total.txt 1742 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/par.txt 2065 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/qsub.sh 2060 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.FF.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.L.dat 1549751 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.M.dat 1508619 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.M2.dat 1766191 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.Nf.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.b_forces.dat 7782 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.b_struct.dat 1508619 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.d2M.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.d2b.dat 7873 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.g.dat 8559 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.g_cnt.dat 8559 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/save.rescale.dat 4216 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/ 282920 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/398K_100.tpr 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 7875 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/S.dat 7875 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/S_CONST.dat 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 340790 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/cgff-PEO_398K_100.o3667861 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/inp.txt 41791 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/log.txt 2607 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/out.total.txt 1742 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/par.txt 2065 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/qsub.sh 2060 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.FF.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.L.dat 1548408 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.M.dat 1508619 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.M2.dat 1765691 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.Nf.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.b_forces.dat 7781 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.b_struct.dat 1508619 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.d2M.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.d2b.dat 7873 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.g.dat 8557 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.g_cnt.dat 8557 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/save.rescale.dat 4216 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/ 282920 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/398K_100.tpr 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 7875 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/S.dat 7875 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/S_CONST.dat 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 340790 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/cgff-PEO_398K_100.o3789911 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/inp.txt 41791 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/log.txt 2607 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/out.total.txt 1742 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/par.txt 2065 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/qsub.sh 2060 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.FF.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.L.dat 1551530 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.M.dat 1508619 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.M2.dat 1765875 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.Nf.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.b_forces.dat 7773 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.b_struct.dat 1508619 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.d2M.dat 7562 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.d2b.dat 7881 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.g.dat 8560 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.g_cnt.dat 8560 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/save.rescale.dat 4216 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/ 282920 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/398K_100.tpr 7875 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/S.dat 7875 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/average_save_states.py 792 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgff-PEO_398K_100.o3798093 0 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/ 0 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/ 6108 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 262487 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/398K_100.1frame.gro 262485 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/398K_100.Emin.gro 2045 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/398K_100.Emin.mdp 354376 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/398K_100.edr 1393 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/398K_100.top 306228 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/398K_100.tpr 280100 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/398K_100.trr 104 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/cgPEO_398K_100_Emin.o3798117 3259 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/grompp.log 82987 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/index.ndx 10387 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/mdout-398K_100.mdp 308881 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/mdrun.log 544 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/mol_types_398K_100.itp 227 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2102 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/table.xvg 58313 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58699 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10091 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/ 7408 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2026 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/398K_100.Equil.mdp 402453 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/398K_100.confout.gro 49460 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/398K_100.edr 1393 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/398K_100.top 306228 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/398K_100.tpr 21423468 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/398K_100.trr 375 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/cgPEO_398K_100_Equil.o3799371 3378 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/grompp.log 82987 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/index.ndx 10370 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/mdout-398K_100.mdp 34671 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/mdrun.log 544 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/mol_types_398K_100.itp 229 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2112 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/run_gmx.sh 461928 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/state.cpt 461928 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/table.xvg 58313 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58699 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58297 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10091 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 10:02 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/ 7480 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 402453 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/398K_100.confout.gro 4821260 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/398K_100.edr 2029 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/398K_100.mdp 1393 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/398K_100.top 306228 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/398K_100.tpr 2100760068 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/398K_100.trr 295662 05-27-2015 09:56 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 09:55 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1311 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/bonds.xvg 895 05-27-2015 09:53 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1907 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 372 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/cgPEO_398K_100_Prodrun.o3806984 6290 05-27-2015 09:56 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026444 25841 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3808503 94019 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/distance.xvg 3471 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/grompp.log 82987 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/index.ndx 10366 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/mdout-398K_100.mdp 1812665 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/mdrun.log 544 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/mol_types_398K_100.itp 231 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:18 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 32145 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 32144 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 32146 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2110 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 461928 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/state.cpt 461928 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/table.xvg 58313 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58699 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58297 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10091 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/ 394 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/copy_forces.sh 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/f_SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/f_SS.dat 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/f_bond.dat 2077 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/f_zero.dat 1069 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/table.xvg 58313 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/table_Na_Na.xvg 58699 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/table_S_Na.xvg 58297 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/table_S_S.xvg 10091 01-30-2015 16:28 09.23.14/CGFF/398K_100/iter0_fromquart/edit/table_b0.xvg 2077 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09.23.14/CGFF/398K_25/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 326870 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/cgff-PEO_398K_25.o3667816 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3007 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/inp.txt 75596 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/log.txt 4557 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/par.txt 2064 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/save.L.dat 5123092 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_1stquarter/save.M2.dat 5604817 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01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/S.dat 14280 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/cgff-PEO_398K_25.o3667817 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/inp.txt 75640 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/log.txt 4557 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/par.txt 2064 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.L.dat 5114315 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.M2.dat 5607377 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.b_forces.dat 14135 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.d2b.dat 14394 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.g.dat 15184 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.g_cnt.dat 15184 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:28 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16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/inp.txt 75640 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/log.txt 4557 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/par.txt 2064 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.L.dat 5116608 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.M2.dat 5607279 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.b_forces.dat 14139 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.d2b.dat 14396 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.g.dat 15182 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.g_cnt.dat 15182 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/ 212480 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/398K_25.tpr 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/S.dat 14280 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 333110 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/cgff-PEO_398K_25.o3667819 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/inp.txt 75640 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/log.txt 4557 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/par.txt 2064 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.L.dat 5120635 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.M2.dat 5607080 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.b_forces.dat 14147 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.d2b.dat 14396 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.g.dat 15184 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.g_cnt.dat 15184 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_fromquart/ 212480 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_fromquart/398K_25.tpr 14280 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_fromquart/S.dat 14280 01-30-2015 16:28 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09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_1stquarter/out.total.txt 1823 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_1stquarter/par.txt 2064 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_1stquarter/qsub.sh 2059 01-30-2015 16:28 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_1stquarter/qsub_xv.sh 19 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_1stquarter/save.FF.dat 13775 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_1stquarter/save.L.dat 5123092 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_1stquarter/save.M.dat 5000325 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_1stquarter/save.M2.dat 5604817 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_1stquarter/save.M_cnt.dat 7 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_1stquarter/save.Nf.dat 14124 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_1stquarter/save.b_forces.dat 14135 01-30-2015 16:29 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09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/S.dat 14280 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/S_CONST.dat 2108 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/cgff-PEO_398K_25.o3789932 2108 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/inp.txt 75640 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/log.txt 4557 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/out.total.txt 1823 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/par.txt 2064 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/qsub.sh 2059 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/qsub_xv.sh 19 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.FF.dat 13775 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.L.dat 5114315 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.M.dat 5000325 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.M2.dat 5607377 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.Nf.dat 14089 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.b_forces.dat 14131 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.d2M.dat 14381 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.d2b.dat 14394 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.g.dat 15184 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.g_cnt.dat 15184 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/save.rescale.dat 6228 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_2ndquarter/summarize_input.txt 0 05-08-2015 08:04 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/ 212480 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/398K_25.tpr 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/S.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/S_CONST.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/cgff-PEO_398K_25.o3789933 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/inp.txt 75640 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/log.txt 4557 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/out.total.txt 1823 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/par.txt 2064 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/qsub.sh 2059 01-30-2015 16:29 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/qsub_xv.sh 19 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.FF.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.L.dat 5116608 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.M.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.M2.dat 5607279 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.Nf.dat 14112 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.b_forces.dat 14133 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.d2M.dat 14381 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.d2b.dat 14396 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.g.dat 15182 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.g_cnt.dat 15182 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/save.rescale.dat 6228 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_3rdquarter/summarize_input.txt 0 05-08-2015 08:04 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/ 212480 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/398K_25.tpr 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/S.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/S_CONST.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.SS.dat 648278 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/cgff-PEO_398K_25.o3789934 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/inp.txt 75640 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/log.txt 4557 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/out.total.txt 1823 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/par.txt 2064 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/qsub.sh 2059 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/qsub_xv.sh 19 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.FF.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.L.dat 5120635 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.M.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.M2.dat 5607080 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.M_cnt.dat 7 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.Nf.dat 14116 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.b_forces.dat 14137 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.d2M.dat 14381 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.d2b.dat 14396 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.g.dat 15184 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.g_cnt.dat 15184 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/save.rescale.dat 6228 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_4thquarter/summarize_input.txt 0 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/ 212480 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/398K_25.tpr 14280 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/S.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/S_CONST.dat 2039 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/average_save_states.py 784 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/cgff-PEO_398K_25.o3799380 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/inp.txt 75860 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/log.txt 2983 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/out.total.txt 1787 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/par.txt 2064 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/qsub.sh 2058 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/qsub_xv.sh 18 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.FF.dat 13050 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.L.dat 4858959 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.M.dat 4737150 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.M2.dat 5343757 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.M_cnt.dat 7 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.Nf.dat 13388 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.b_forces.dat 13407 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.b_struct.dat 4737150 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.d2M.dat 13656 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.d2b.dat 13670 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.g.dat 14456 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.g_cnt.dat 14456 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/save.rescale.dat 6100 01-30-2015 16:30 09.23.14/CGFF/398K_25/iter0_refCoul_oldeps_fromquart/summarize_input.txt 0 05-21-2015 04:00 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/ 6571927704 05-08-2015 08:53 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/398K_25.rerun_Coul.1stquarter.trr 212480 05-08-2015 09:37 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/398K_25.tpr 2108 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/L.BondStretch.total.bonds.dat 3162 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CC.dat 3193 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CS.dat 3131 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SNa.dat 3007 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SS.dat 14238 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/S.dat 14238 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/S_CONST.dat 2108 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3131 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3007 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SS.dat 635798 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/cgff-PEO_398K_25.o4009227 2108 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3131 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3007 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g.BondStretch.total.bonds.dat 3162 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CC.dat 3193 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CS.dat 3131 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SNa.dat 3007 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SS.dat 2108 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3131 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3007 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 09:37 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/inp.txt 75596 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/log.txt 4557 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/out.total.txt 1823 05-08-2015 09:37 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/par.txt 2064 05-08-2015 09:37 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/qsub.sh 2059 05-08-2015 09:37 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/qsub_xv.sh 19 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.FF.dat 13775 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.L.dat 5123092 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.M.dat 5000325 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.M2.dat 5604817 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.M_cnt.dat 7 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.Nf.dat 14124 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.b_forces.dat 14135 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.b_struct.dat 5000325 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.d2M.dat 14380 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.d2b.dat 14392 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.g.dat 15179 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.g_cnt.dat 15179 05-08-2015 13:38 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/save.rescale.dat 6228 05-08-2015 10:54 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_1stquarter/summarize_input.txt 0 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/ 6572190308 05-08-2015 08:53 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/398K_25.rerun_Coul.2ndquarter.trr 212480 05-08-2015 09:41 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/398K_25.tpr 2108 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/L.BondStretch.total.bonds.dat 3162 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CS.dat 3162 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/S.dat 14280 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/S_CONST.dat 2108 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3162 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 647894 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/cgff-PEO_398K_25.o4009228 2108 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3162 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/g.BondStretch.total.bonds.dat 3162 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 05-08-2015 17:02 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09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 09:45 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/inp.txt 75640 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/log.txt 4557 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/out.total.txt 1823 05-08-2015 09:46 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/par.txt 2064 05-08-2015 09:41 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/qsub.sh 2059 05-08-2015 09:41 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/qsub_xv.sh 19 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.FF.dat 13775 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.L.dat 5114315 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.M.dat 5000325 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.M2.dat 5607377 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.M_cnt.dat 7 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.Nf.dat 14089 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.b_forces.dat 14128 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.b_struct.dat 5000325 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.d2M.dat 14381 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.d2b.dat 14394 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.g.dat 15184 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.g_cnt.dat 15184 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.rescale.dat 6228 05-08-2015 14:19 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_2ndquarter/summarize_input.txt 0 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/ --------- ------- 14633662415 498 files ===================================================== Content of ZIP archive 09.23.14-099.zip ===================================================== Archive: 09.23.14-099.zip Length Date Time Name --------- ---------- ----- ---- 6572190308 05-08-2015 08:54 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/398K_25.rerun_Coul.3rdquarter.trr 212480 05-08-2015 09:41 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/398K_25.tpr 2108 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.BondStretch.total.bonds.dat 3162 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CS.dat 3162 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SS.dat 14280 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/S.dat 14280 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 2108 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3162 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_25.o4009232 2108 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3162 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.BondStretch.total.bonds.dat 3162 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CS.dat 3162 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-08-2015 19:44 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09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 09:41 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2059 05-08-2015 09:41 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5116608 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5607279 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.M_cnt.dat 7 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.Nf.dat 14112 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.b_forces.dat 14135 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.b_struct.dat 5000325 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.d2M.dat 14381 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.d2b.dat 14396 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.g.dat 15182 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.g_cnt.dat 15182 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.rescale.dat 6228 05-08-2015 17:02 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_3rdquarter/summarize_input.txt 0 05-08-2015 22:27 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/ 6571927704 05-08-2015 08:54 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/398K_25.rerun_Coul.4thquarter.trr 212480 05-08-2015 09:41 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/398K_25.tpr 2108 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/L.BondStretch.total.bonds.dat 3162 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CC.dat 3193 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CS.dat 3162 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SS.dat 14280 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/S.dat 14280 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/S_CONST.dat 2108 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3162 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SS.dat 648278 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/cgff-PEO_398K_25.o4009233 2108 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3162 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g.BondStretch.total.bonds.dat 3162 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CC.dat 3193 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CS.dat 3162 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SS.dat 2108 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 09:58 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/inp.txt 75640 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/log.txt 4557 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/out.total.txt 1823 05-08-2015 09:59 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/par.txt 2064 05-08-2015 09:41 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/qsub.sh 2059 05-08-2015 09:41 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/qsub_xv.sh 19 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.FF.dat 13775 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.L.dat 5120635 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.M.dat 5000325 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.M2.dat 5607080 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.M_cnt.dat 7 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.Nf.dat 14116 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.b_forces.dat 14138 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.b_struct.dat 5000325 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.d2M.dat 14381 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.d2b.dat 14396 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.g.dat 15184 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.g_cnt.dat 15184 05-08-2015 22:26 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/save.rescale.dat 6228 05-08-2015 19:44 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_4thquarter/summarize_input.txt 0 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/ 212480 05-21-2015 06:59 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/398K_25.tpr 14280 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/S.dat 14280 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/S_CONST.dat 2063 05-21-2015 07:00 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 784 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/cgff-PEO_398K_25.o4022583 2108 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.BondStretch.total.bonds.dat 3162 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CS.dat 3162 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.BondStretch.total.bonds.dat 3162 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3162 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 05-21-2015 06:59 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/inp.txt 75860 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/log.txt 2983 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/out.total.txt 1787 05-21-2015 06:59 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 06:59 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2063 05-21-2015 06:59 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 18 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.FF.dat 13050 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.L.dat 4858959 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.M.dat 4737150 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.M2.dat 5343757 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.M_cnt.dat 7 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.Nf.dat 13388 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.b_forces.dat 13404 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.d2M.dat 13656 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.d2b.dat 13670 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.g.dat 14456 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.g_cnt.dat 14456 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/save.rescale.dat 6100 05-21-2015 07:03 09.23.14/CGFF/398K_25/iter0_refCoul_preeps-refxn_fromquart/summarize_input.txt 0 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/ 2063 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/average_save_states.py 18 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.FF.dat 13050 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.L.dat 4858959 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.M.dat 4737150 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.M2.dat 5343757 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.M_cnt.dat 7 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.Nf.dat 13388 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.b_forces.dat 13404 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.d2M.dat 13656 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.d2b.dat 13670 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.g.dat 14456 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.g_cnt.dat 14456 05-21-2015 07:41 09.23.14/CGFF/398K_25/save_preeps-refxn_fromquart/save.rescale.dat 0 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/ 1979 05-28-2015 07:30 09.23.14/CGFF/398K_25/save_refxn_fromquart/average_save_states.py 18 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.FF.dat 13050 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.L.dat 4858959 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.M.dat 4737150 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.M2.dat 5343757 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.M_cnt.dat 7 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.Nf.dat 13050 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.b_forces.dat 13415 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.b_struct.dat 4737150 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.d2M.dat 13050 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.d2b.dat 13670 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.g.dat 14456 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.g_cnt.dat 14456 05-28-2015 07:44 09.23.14/CGFF/398K_25/save_refxn_fromquart/save.rescale.dat 0 05-28-2015 07:30 09.23.14/CGFF/398K_38/ 0 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/ 230744 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/398K_38.tpr 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/S.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 327254 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/cgff-PEO_398K_38.o3667826 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 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09.23.14/CGFF/398K_38/iter0_2ndquarter/398K_38.tpr 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/S.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/cgff-PEO_398K_38.o3667827 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 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09.23.14/CGFF/398K_38/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/inp.txt 75640 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/log.txt 4557 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/par.txt 2064 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/save.L.dat 5125081 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/save.M2.dat 5648857 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/save.b_forces.dat 14153 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_2ndquarter/save.d2b.dat 14398 01-30-2015 16:30 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16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/S.dat 14301 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/cgff-PEO_398K_38.o3667828 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 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09.23.14/CGFF/398K_38/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/save.b_forces.dat 14147 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/save.d2b.dat 14396 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/save.g.dat 15282 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/save.g_cnt.dat 15282 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/ 230744 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/398K_38.tpr 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/S.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 333494 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/cgff-PEO_398K_38.o3667830 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/inp.txt 75640 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/log.txt 4557 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/par.txt 2064 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.L.dat 5120906 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.M2.dat 5650045 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.b_forces.dat 14151 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.d2b.dat 14402 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.g.dat 15281 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.g_cnt.dat 15281 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/ 230744 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/398K_38.tpr 14280 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/S.dat 14280 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/average_save_states.py 784 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgff-PEO_398K_38.o3789899 0 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/ 0 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/ 5804 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 181081 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/398K_38.1frame.gro 181080 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/398K_38.Emin.gro 2060 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/398K_38.Emin.mdp 225508 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/398K_38.edr 9791 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/398K_38.top 246508 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/398K_38.tpr 193268 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/398K_38.trr 38 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/cgPEO_398K_38_Emin.o3789974 41617 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/grompp.log 64662 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/mdout-398K_38.mdp 176535 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/mdrun.log 10601 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/mol_types_398K_38.itp 226 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2097 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/table.xvg 58372 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58581 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58332 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58340 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58675 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10101 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/ 7526 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/398K_38.Equil.mdp 277632 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/398K_38.confout.gro 56876 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/398K_38.edr 9791 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/398K_38.top 246508 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/398K_38.tpr 14780820 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/398K_38.trr 375 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/cgPEO_398K_38_Equil.o3790011 41711 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/grompp.log 64662 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/mdout-398K_38.mdp 35379 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/mdrun.log 10601 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/mol_types_398K_38.itp 228 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/run_gmx.sh 331824 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/state.cpt 331824 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/table.xvg 58372 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58581 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58332 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58340 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58675 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58297 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10101 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 10:05 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/ 7402 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 277632 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/398K_38.confout.gro 5541476 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/398K_38.edr 2044 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/398K_38.mdp 9791 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/398K_38.top 246508 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/398K_38.tpr 1449389820 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/398K_38.trr 295649 05-27-2015 10:05 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:12 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1330 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/bonds.xvg 894 05-27-2015 10:04 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1894 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 364 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_398K_38_Prodrun.o3798082 6269 05-27-2015 10:05 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026460 46433 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3799366 94019 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/distance.xvg 41684 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/grompp.log 64662 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/index.ndx 10380 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/mdout-398K_38.mdp 1812816 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/mdrun.log 10601 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/mol_types_398K_38.itp 230 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:18 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 31991 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-C.xvg 31990 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-Na.xvg 31990 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-S.xvg 31990 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 31990 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 31989 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2109 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 331824 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/state.cpt 331824 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/table.xvg 58372 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/table_C_C.xvg 58581 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/table_C_Na.xvg 58332 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/table_C_S.xvg 58340 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58675 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58297 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10101 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/ 391 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/copy_forces.sh 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/f_CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/f_CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/f_CS.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/f_SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/f_SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/f_bond.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CS.dat 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09.23.14/CGFF/398K_38/iter0_fromquart/summarize_input.txt 0 05-09-2015 02:07 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_1stquarter/ --------- ------- 14833857041 593 files ===================================================== Content of ZIP archive 09.23.14-100.zip ===================================================== Archive: 09.23.14-100.zip Length Date Time Name --------- ---------- ----- ---- 7253035320 05-08-2015 08:48 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_1stquarter/398K_38.rerun_Coul.1stquarter.trr 230744 05-08-2015 10:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_1stquarter/398K_38.tpr 2108 05-09-2015 02:07 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_1stquarter/L.BondStretch.total.bonds.dat 3162 05-09-2015 02:07 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CC.dat 3193 05-09-2015 02:07 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 05-09-2015 02:07 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09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 10:52 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/inp.txt 75640 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/log.txt 4557 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/out.total.txt 1823 05-08-2015 11:17 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/par.txt 2064 05-08-2015 10:47 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/qsub.sh 2059 05-08-2015 10:47 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/qsub_xv.sh 19 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.FF.dat 13775 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.L.dat 5125081 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.M.dat 5000325 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.M2.dat 5648857 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.M_cnt.dat 7 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.Nf.dat 14118 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.b_forces.dat 14149 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.b_struct.dat 5000325 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.d2M.dat 14381 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.d2b.dat 14398 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.g.dat 15275 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.g_cnt.dat 15275 05-09-2015 05:55 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/save.rescale.dat 6228 05-09-2015 02:07 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_2ndquarter/summarize_input.txt 0 05-09-2015 09:38 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/ --------- ------- 14550308854 122 files ===================================================== Content of ZIP archive 09.23.14-101.zip ===================================================== Archive: 09.23.14-101.zip Length Date Time Name --------- ---------- ----- ---- 7253325140 05-08-2015 08:48 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/398K_38.rerun_Coul.3rdquarter.trr 230744 05-08-2015 10:49 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/398K_38.tpr 2108 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.BondStretch.total.bonds.dat 3162 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/S.dat 14301 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 2108 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_25.o4009262 2108 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-09-2015 09:37 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-09-2015 09:37 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09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g.BondStretch.total.bonds.dat 3162 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CC.dat 3193 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CS.dat 3162 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SS.dat 2108 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 10:54 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/inp.txt 75640 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/log.txt 4557 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/out.total.txt 1823 05-08-2015 11:17 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/par.txt 2064 05-08-2015 10:49 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/qsub.sh 2059 05-08-2015 10:49 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/qsub_xv.sh 19 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.FF.dat 13775 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.L.dat 5120906 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.M.dat 5000325 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.M2.dat 5650045 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.M_cnt.dat 7 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.Nf.dat 14137 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.b_forces.dat 14143 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.b_struct.dat 5000325 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.d2M.dat 14382 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.d2b.dat 14402 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.g.dat 15281 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.g_cnt.dat 15281 05-09-2015 13:22 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/save.rescale.dat 6228 05-09-2015 09:38 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_4thquarter/summarize_input.txt 0 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/ 230744 05-21-2015 07:04 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/398K_38.tpr 14280 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/S.dat 14280 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/S_CONST.dat 2063 05-21-2015 07:03 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 784 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/cgff-PEO_398K_38.o4022584 2108 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.BondStretch.total.bonds.dat 3162 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CS.dat 3162 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.BondStretch.total.bonds.dat 3162 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3162 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SS.dat 108 05-21-2015 07:05 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/inp.txt 75860 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/log.txt 2985 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/out.total.txt 1787 05-21-2015 07:05 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 07:03 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2063 05-21-2015 07:05 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 18 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.FF.dat 13050 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.L.dat 4863964 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.M.dat 4737150 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.M2.dat 5386671 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.M_cnt.dat 7 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.Nf.dat 13407 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.b_forces.dat 13417 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.d2M.dat 13657 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.d2b.dat 13671 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.g.dat 14552 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.g_cnt.dat 14552 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/save.rescale.dat 6111 05-21-2015 07:06 09.23.14/CGFF/398K_38/iter0_refCoul_preeps-refxn_fromquart/summarize_input.txt 0 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/ 2063 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/average_save_states.py 18 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.FF.dat 13050 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.L.dat 4863964 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.M.dat 4737150 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.M2.dat 5386671 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.M_cnt.dat 7 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.Nf.dat 13407 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.b_forces.dat 13417 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.d2M.dat 13657 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.d2b.dat 13671 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.g.dat 14552 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.g_cnt.dat 14552 05-21-2015 07:42 09.23.14/CGFF/398K_38/save_preeps-refxn_fromquart/save.rescale.dat 0 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/ 1979 05-28-2015 07:30 09.23.14/CGFF/398K_38/save_refxn_fromquart/average_save_states.py 18 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.FF.dat 13050 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.L.dat 4863964 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.M.dat 4737150 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.M2.dat 5386671 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.M_cnt.dat 7 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.Nf.dat 13050 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.b_forces.dat 13426 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.b_struct.dat 4737150 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.d2M.dat 13050 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.d2b.dat 13671 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.g.dat 14552 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.g_cnt.dat 14552 05-28-2015 07:44 09.23.14/CGFF/398K_38/save_refxn_fromquart/save.rescale.dat 0 05-28-2015 07:30 09.23.14/CGFF/398K_50/ 0 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/ 247508 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/398K_50.tpr 2108 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/S.dat 14301 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 326870 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/cgff-PEO_398K_50.o3667834 2108 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/inp.txt 75662 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/log.txt 4557 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/par.txt 2064 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.L.dat 5126268 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.M2.dat 5671267 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.b_forces.dat 14155 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.d2b.dat 14386 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.g.dat 15364 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.g_cnt.dat 15364 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_2ndquarter/ 247508 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_2ndquarter/398K_50.tpr 2108 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 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01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/S.dat 14301 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 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09.23.14/CGFF/398K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/inp.txt 75662 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/log.txt 4557 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/par.txt 2064 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.L.dat 5125338 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.M2.dat 5672815 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.b_forces.dat 14152 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.d2b.dat 14399 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.g.dat 15360 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.g_cnt.dat 15360 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:30 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16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/par.txt 2064 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/save.L.dat 5134993 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/save.M2.dat 5673372 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/save.b_forces.dat 14141 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:30 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01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_fromquart/inp.txt 75882 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/log.txt 2961 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/out.total.txt 1787 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_fromquart/par.txt 2064 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_fromquart/qsub.sh 2058 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_fromquart/qsub_xv.sh 18 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/save.FF.dat 13050 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/save.L.dat 4871288 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/save.M.dat 4737150 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/save.M2.dat 5409664 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/save.M_cnt.dat 7 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/save.b_forces.dat 13423 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:30 09.23.14/CGFF/398K_50/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/save.d2b.dat 13671 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/save.g.dat 14644 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/save.g_cnt.dat 14644 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/save.rescale.dat 6100 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_fromquart/summarize_input.txt 0 05-08-2015 08:59 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/ 247508 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/398K_50.tpr 2108 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/S.dat 14301 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/S_CONST.dat 2108 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/b_struct.Pair_Interaction.total.SS.dat 635798 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/cgff-PEO_398K_50.o3789935 2108 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/inp.txt 75662 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/log.txt 4557 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/out.total.txt 1823 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/par.txt 2064 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/qsub.sh 2059 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/qsub_xv.sh 19 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.FF.dat 13775 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.L.dat 5126268 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.M.dat 5000325 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.M2.dat 5671267 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.M_cnt.dat 7 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.Nf.dat 14127 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.b_forces.dat 14150 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.d2M.dat 14382 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.d2b.dat 14386 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.g.dat 15364 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.g_cnt.dat 15364 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/save.rescale.dat 6228 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_1stquarter/summarize_input.txt 0 05-08-2015 08:59 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/ 247508 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/398K_50.tpr 2108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/S.dat 14301 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/S_CONST.dat 2108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/cgff-PEO_398K_50.o3789936 2108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/inp.txt 75662 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/log.txt 4557 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/out.total.txt 1823 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/par.txt 2064 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/qsub.sh 2059 01-30-2015 16:31 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/qsub_xv.sh 19 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.FF.dat 13775 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.L.dat 5126432 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.M.dat 5000325 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.M2.dat 5672350 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.Nf.dat 14122 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.b_forces.dat 14143 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.d2M.dat 14381 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.d2b.dat 14393 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.g.dat 15370 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.g_cnt.dat 15370 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/save.rescale.dat 6228 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_2ndquarter/summarize_input.txt 0 05-08-2015 08:59 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/ 247508 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/398K_50.tpr 2108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/S.dat 14301 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/S_CONST.dat 2108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/cgff-PEO_398K_50.o3789937 2108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/inp.txt 75662 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/log.txt 4557 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/out.total.txt 1823 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/par.txt 2064 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/qsub.sh 2059 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/qsub_xv.sh 19 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.FF.dat 13775 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.L.dat 5125338 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.M.dat 5000325 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.M2.dat 5672815 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.Nf.dat 14111 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.b_forces.dat 14136 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.d2M.dat 14382 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.d2b.dat 14399 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.g.dat 15360 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.g_cnt.dat 15360 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/save.rescale.dat 6228 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_3rdquarter/summarize_input.txt 0 05-08-2015 08:59 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/ 247508 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/398K_50.tpr 2108 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/S.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/S_CONST.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.SS.dat 648278 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/cgff-PEO_398K_50.o3789938 2108 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/inp.txt 75684 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/log.txt 4557 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/out.total.txt 1823 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/par.txt 2064 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/qsub.sh 2059 01-30-2015 16:32 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/qsub_xv.sh 19 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.FF.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.L.dat 5134993 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.M.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.M2.dat 5673372 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.M_cnt.dat 7 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.Nf.dat 14132 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.b_forces.dat 14138 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.d2M.dat 14382 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.d2b.dat 14395 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.g.dat 15370 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.g_cnt.dat 15370 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/save.rescale.dat 6228 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_4thquarter/summarize_input.txt 0 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/ 247508 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/398K_50.tpr 14301 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/S.dat 14301 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/S_CONST.dat 2039 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/average_save_states.py 784 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/cgff-PEO_398K_50.o3807003 2108 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/inp.txt 75882 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/log.txt 2991 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/out.total.txt 1787 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/par.txt 2064 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/qsub.sh 2058 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/qsub_xv.sh 18 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.FF.dat 13050 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.L.dat 4871288 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.M.dat 4737150 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.M2.dat 5409664 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.M_cnt.dat 7 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.Nf.dat 13391 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.b_forces.dat 13412 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.b_struct.dat 4737150 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.d2M.dat 13657 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.d2b.dat 13671 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.g.dat 14644 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.g_cnt.dat 14644 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/save.rescale.dat 6100 01-30-2015 16:33 09.23.14/CGFF/398K_50/iter0_refCoul_oldeps_fromquart/summarize_input.txt 0 05-09-2015 18:22 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/ 7885492392 05-08-2015 08:58 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/398K_50.rerun_Coul.1stquarter.trr 247508 05-08-2015 10:54 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/398K_50.tpr 2108 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/L.BondStretch.total.bonds.dat 3162 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CC.dat 3193 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 05-09-2015 18:21 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18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SS.dat 635798 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/cgff-PEO_398K_50.o4009271 2108 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g.BondStretch.total.bonds.dat 3162 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CC.dat 3193 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CS.dat 3193 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SS.dat 2108 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-09-2015 18:21 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09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/save.M.dat 5000325 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/save.M2.dat 5671267 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/save.M_cnt.dat 7 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/save.Nf.dat 14127 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/save.b_forces.dat 14150 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/save.b_struct.dat 5000325 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/save.d2M.dat 14382 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/save.d2b.dat 14386 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/save.g.dat 15364 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/save.g_cnt.dat 15364 05-09-2015 18:21 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/save.rescale.dat 6228 05-09-2015 13:23 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_1stquarter/summarize_input.txt 0 05-11-2015 03:39 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/ --------- ------- 9616475661 437 files ===================================================== Content of ZIP archive 09.23.14-103.zip ===================================================== Archive: 09.23.14-103.zip Length Date Time Name --------- ---------- ----- ---- 7885807484 05-08-2015 08:58 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/398K_50.rerun_Coul.2ndquarter.trr 247508 05-08-2015 10:55 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/398K_50.tpr 2108 05-11-2015 03:38 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.BondStretch.total.bonds.dat 3162 05-11-2015 03:38 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 05-11-2015 03:38 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 05-11-2015 03:38 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 05-11-2015 03:38 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-11-2015 03:38 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 05-11-2015 03:38 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SS.dat 14301 05-11-2015 03:38 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/S.dat 14301 05-11-2015 03:38 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/S_CONST.dat 2108 05-11-2015 03:38 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 05-11-2015 03:38 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-11-2015 03:38 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08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_50.o4010502 2108 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.BondStretch.total.bonds.dat 3162 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 10:58 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/inp.txt 75662 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/log.txt 4557 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/out.total.txt 1823 05-08-2015 10:58 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 10:55 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2059 05-08-2015 10:55 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5125338 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5672815 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.M_cnt.dat 7 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.Nf.dat 14111 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.b_forces.dat 14139 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.b_struct.dat 5000325 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.d2M.dat 14382 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.d2b.dat 14399 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.g.dat 15360 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.g_cnt.dat 15360 05-11-2015 08:48 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.rescale.dat 6228 05-11-2015 03:39 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_3rdquarter/summarize_input.txt 0 05-11-2015 13:53 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/ --------- ------- 15815660458 122 files ===================================================== Content of ZIP archive 09.23.14-104.zip ===================================================== Archive: 09.23.14-104.zip Length Date Time Name --------- ---------- ----- ---- 7885492392 05-08-2015 08:58 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/398K_50.rerun_Coul.4thquarter.trr 247508 05-08-2015 10:55 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/398K_50.tpr 2108 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/L.BondStretch.total.bonds.dat 3162 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CC.dat 3193 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CS.dat 3193 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SS.dat 14322 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/S.dat 14322 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/S_CONST.dat 2108 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-11-2015 13:52 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09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/g.BondStretch.total.bonds.dat 3162 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CC.dat 3193 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CS.dat 3193 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SS.dat 2108 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-11-2015 13:52 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-11-2015 13:52 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09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 05-21-2015 07:06 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/inp.txt 75882 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/log.txt 2990 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/out.total.txt 1787 05-21-2015 07:06 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 07:06 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2063 05-21-2015 07:07 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 18 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.FF.dat 13050 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.L.dat 4871288 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.M.dat 4737150 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.M2.dat 5409664 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.M_cnt.dat 7 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.Nf.dat 13391 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.b_forces.dat 13422 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.d2M.dat 13657 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.d2b.dat 13671 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.g.dat 14644 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.g_cnt.dat 14644 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/save.rescale.dat 6100 05-21-2015 07:08 09.23.14/CGFF/398K_50/iter0_refCoul_preeps-refxn_fromquart/summarize_input.txt 0 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/ 2063 05-21-2015 07:42 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/average_save_states.py 18 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.FF.dat 13050 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.L.dat 4871288 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.M.dat 4737150 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.M2.dat 5409664 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.M_cnt.dat 7 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.Nf.dat 13391 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.b_forces.dat 13422 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.d2M.dat 13657 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.d2b.dat 13671 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.g.dat 14644 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.g_cnt.dat 14644 05-21-2015 07:43 09.23.14/CGFF/398K_50/save_preeps-refxn_fromquart/save.rescale.dat 0 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/ 1979 05-28-2015 07:30 09.23.14/CGFF/398K_50/save_refxn_fromquart/average_save_states.py 18 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.FF.dat 13050 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.L.dat 4871288 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.M.dat 4737150 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.M2.dat 5409664 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.M_cnt.dat 7 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.Nf.dat 13050 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.b_forces.dat 13423 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.b_struct.dat 4737150 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.d2M.dat 13050 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.d2b.dat 13671 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.g.dat 14644 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.g_cnt.dat 14644 05-28-2015 07:45 09.23.14/CGFF/398K_50/save_refxn_fromquart/save.rescale.dat 0 05-28-2015 07:30 09.23.14/CGFF/398K_63/ 0 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/ 265772 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/398K_63.tpr 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/S.dat 14301 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 327062 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/cgff-PEO_398K_63.o3667839 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/inp.txt 75662 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/log.txt 4557 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/par.txt 2064 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.L.dat 5128398 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.M2.dat 5683123 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.b_forces.dat 14143 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.d2b.dat 14385 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.g.dat 15380 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.g_cnt.dat 15380 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/ 265772 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/398K_63.tpr 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/S.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/cgff-PEO_398K_63.o3667840 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/inp.txt 75684 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/log.txt 4557 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/par.txt 2064 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.L.dat 5122182 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.M2.dat 5684223 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.b_forces.dat 14154 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.d2b.dat 14390 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.g.dat 15383 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.g_cnt.dat 15383 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/ 265772 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/398K_63.tpr 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/S.dat 14301 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/cgff-PEO_398K_63.o3667841 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/inp.txt 75662 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/log.txt 4557 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/par.txt 2064 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.L.dat 5119741 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.M2.dat 5681878 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.b_forces.dat 14145 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.d2b.dat 14401 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.g.dat 15382 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.g_cnt.dat 15382 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/ 265772 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/398K_63.tpr 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/S.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 333302 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/cgff-PEO_398K_63.o3667842 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/inp.txt 75684 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/log.txt 4557 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/par.txt 2064 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.L.dat 5129416 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.M2.dat 5682045 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.b_forces.dat 14146 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.d2b.dat 14396 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.g.dat 15381 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.g_cnt.dat 15381 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/ 265772 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/398K_63.tpr 14322 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/S.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/average_save_states.py 784 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgff-PEO_398K_63.o3789903 0 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/ 0 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/ 5797 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 213886 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/398K_63.1frame.gro 213885 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/398K_63.Emin.gro 2060 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/398K_63.Emin.mdp 165712 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/398K_63.edr 9791 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/398K_63.top 284452 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/398K_63.tpr 228260 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/398K_63.trr 38 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/cgPEO_398K_63_Emin.o3789979 41586 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/grompp.log 72050 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/mdout-398K_63.mdp 132493 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/mdrun.log 10602 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/mol_types_398K_63.itp 226 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2097 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/table.xvg 58388 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58594 01-30-2015 16:33 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09.23.14/CGFF/398K_63/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/f_zero.dat 1051 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/table.xvg 58388 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/table_C_C.xvg 58594 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/table_C_Na.xvg 58329 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/table_C_S.xvg 58340 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/table_Na_Na.xvg 58686 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/table_S_Na.xvg 58297 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/table_S_S.xvg 10097 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/edit/table_b0.xvg 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_63/iter0_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 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09.23.14/CGFF/398K_63/iter0_fromquart/summarize_input.txt 0 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/ --------- ------- 9819671088 532 files ===================================================== Content of ZIP archive 09.23.14-105.zip ===================================================== Archive: 09.23.14-105.zip Length Date Time Name --------- ---------- ----- ---- 8566600008 05-08-2015 08:54 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/398K_63.rerun_Coul.1stquarter.trr 265772 05-08-2015 11:00 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/398K_63.tpr 2108 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/L.BondStretch.total.bonds.dat 3162 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CC.dat 3193 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 05-12-2015 00:37 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09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g.BondStretch.total.bonds.dat 3162 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CC.dat 3193 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CS.dat 3193 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SS.dat 2108 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:00 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/inp.txt 75662 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/log.txt 4557 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/out.total.txt 1823 05-08-2015 11:18 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/par.txt 2064 05-08-2015 10:59 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/qsub.sh 2059 05-08-2015 10:59 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/qsub_xv.sh 19 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.FF.dat 13775 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.L.dat 5128398 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.M.dat 5000325 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.M2.dat 5683123 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.M_cnt.dat 7 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.Nf.dat 14137 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.b_forces.dat 14145 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.b_struct.dat 5000325 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.d2M.dat 14382 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.d2b.dat 14385 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.g.dat 15380 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.g_cnt.dat 15380 05-12-2015 00:37 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/save.rescale.dat 6228 05-11-2015 17:58 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_1stquarter/summarize_input.txt 0 05-12-2015 07:11 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/ --------- ------- 8588642401 61 files ===================================================== Content of ZIP archive 09.23.14-106.zip ===================================================== Archive: 09.23.14-106.zip Length Date Time Name --------- ---------- ----- ---- 8566942316 05-08-2015 08:54 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/398K_63.rerun_Coul.2ndquarter.trr 265772 05-08-2015 11:00 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/398K_63.tpr 2108 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.BondStretch.total.bonds.dat 3162 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/S.dat 14322 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/S_CONST.dat 2108 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 647894 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/cgff-PEO_398K_50.o4010506 2108 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.BondStretch.total.bonds.dat 3162 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:02 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/inp.txt 75684 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/log.txt 4557 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/out.total.txt 1823 05-08-2015 11:18 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/par.txt 2064 05-08-2015 11:00 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/qsub.sh 2059 05-08-2015 11:00 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/qsub_xv.sh 19 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.FF.dat 13775 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.L.dat 5122182 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.M.dat 5000325 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.M2.dat 5684223 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.M_cnt.dat 7 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.Nf.dat 14126 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.b_forces.dat 14138 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.b_struct.dat 5000325 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.d2M.dat 14382 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.d2b.dat 14390 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.g.dat 15383 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.g_cnt.dat 15383 05-12-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.rescale.dat 6228 05-12-2015 00:44 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_2ndquarter/summarize_input.txt 0 05-12-2015 13:22 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/ --------- ------- 8588991517 61 files ===================================================== Content of ZIP archive 09.23.14-107.zip ===================================================== Archive: 09.23.14-107.zip Length Date Time Name --------- ---------- ----- ---- 8566942316 05-08-2015 08:55 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/398K_63.rerun_Coul.3rdquarter.trr 265772 05-08-2015 11:00 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/398K_63.tpr 2108 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.BondStretch.total.bonds.dat 3162 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/S.dat 14301 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 2108 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_50.o4010507 2108 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.BondStretch.total.bonds.dat 3162 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:03 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/inp.txt 75662 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/log.txt 4557 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/out.total.txt 1823 05-08-2015 11:18 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 11:00 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2059 05-08-2015 11:00 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5119741 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5681878 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.M_cnt.dat 7 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.Nf.dat 14111 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.b_forces.dat 14129 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.b_struct.dat 5000325 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.d2M.dat 14384 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.d2b.dat 14401 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.g.dat 15382 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.g_cnt.dat 15382 05-12-2015 13:21 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.rescale.dat 6228 05-12-2015 07:11 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_3rdquarter/summarize_input.txt 0 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/ --------- ------- 8588986499 61 files ===================================================== Content of ZIP archive 09.23.14-108.zip ===================================================== Archive: 09.23.14-108.zip Length Date Time Name --------- ---------- ----- ---- 8566600008 05-08-2015 08:55 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/398K_63.rerun_Coul.4thquarter.trr 265772 05-08-2015 11:01 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/398K_63.tpr 2108 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/L.BondStretch.total.bonds.dat 3162 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CC.dat 3193 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CS.dat 3193 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SS.dat 14322 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/S.dat 14322 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/S_CONST.dat 2108 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SS.dat 648662 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/cgff-PEO_398K_50.o4010508 2108 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g.BondStretch.total.bonds.dat 3162 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CC.dat 3193 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CS.dat 3193 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SS.dat 2108 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:03 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/inp.txt 75684 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/log.txt 4557 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/out.total.txt 1823 05-08-2015 11:18 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/par.txt 2064 05-08-2015 11:01 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/qsub.sh 2059 05-08-2015 11:01 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/qsub_xv.sh 19 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.FF.dat 13775 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.L.dat 5129416 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.M.dat 5000325 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.M2.dat 5682045 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.M_cnt.dat 7 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.Nf.dat 14125 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.b_forces.dat 14139 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.b_struct.dat 5000325 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.d2M.dat 14382 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.d2b.dat 14396 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.g.dat 15381 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.g_cnt.dat 15381 05-12-2015 19:30 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/save.rescale.dat 6228 05-12-2015 13:22 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_4thquarter/summarize_input.txt 0 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/ 265772 05-21-2015 07:09 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/398K_63.tpr 14322 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/S.dat 14322 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/S_CONST.dat 2063 05-21-2015 07:09 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 784 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/cgff-PEO_398K_63.o4022586 2108 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.BondStretch.total.bonds.dat 3162 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.BondStretch.total.bonds.dat 3162 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 07:10 09.23.14/CGFF/398K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 05-21-2015 07:10 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16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14343 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/S.dat 14343 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/cgff-PEO_398K_75.o3789904 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/inp.txt 75706 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/log.txt 4557 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/par.txt 2064 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.L.dat 5134803 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.M2.dat 5676619 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.b_forces.dat 14151 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.d2b.dat 14393 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.g.dat 15381 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.g_cnt.dat 15381 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/ 282464 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/398K_75.tpr 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/S.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/cgff-PEO_398K_75.o3789905 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/inp.txt 75684 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/log.txt 4557 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/par.txt 2064 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.L.dat 5132853 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.M2.dat 5677015 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.b_forces.dat 14147 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.d2b.dat 14394 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.g.dat 15385 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.g_cnt.dat 15385 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/ 282464 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/398K_75.tpr 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/S.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/cgff-PEO_398K_75.o3667848 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/inp.txt 75684 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/log.txt 4557 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/par.txt 2064 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.L.dat 5132172 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.M2.dat 5677269 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.b_forces.dat 14148 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.d2b.dat 14391 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.g.dat 15385 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.g_cnt.dat 15385 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/ 282464 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/398K_75.tpr 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/S.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 334070 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/cgff-PEO_398K_75.o3667849 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/inp.txt 75684 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/log.txt 4557 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/par.txt 2064 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.L.dat 5123021 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.M2.dat 5678751 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.b_forces.dat 14161 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.d2b.dat 14389 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.g.dat 15387 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.g_cnt.dat 15387 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/ 282464 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/398K_75.tpr 14322 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/S.dat 14322 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/average_save_states.py 784 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgff-PEO_398K_75.o3798085 0 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/ 0 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/ 6138 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 229682 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/398K_75.1frame.gro 229680 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/398K_75.Emin.gro 2060 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/398K_75.Emin.mdp 289264 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/398K_75.edr 9791 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/398K_75.top 302548 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/398K_75.tpr 245108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/398K_75.trr 104 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/cgPEO_398K_75_Emin.o3798087 41605 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/grompp.log 75606 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/mdout-398K_75.mdp 225334 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/mdrun.log 10603 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/mol_types_398K_75.itp 226 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2101 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/table.xvg 58401 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58629 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58328 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58330 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58690 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10101 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/ 7419 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/398K_75.Equil.mdp 352152 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/398K_75.confout.gro 56876 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/398K_75.edr 9791 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/398K_75.top 302548 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/398K_75.tpr 18746580 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/398K_75.trr 375 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/cgPEO_398K_75_Equil.o3798088 41699 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/grompp.log 75606 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/mdout-398K_75.mdp 35264 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/mdrun.log 10603 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/mol_types_398K_75.itp 228 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/run_gmx.sh 409584 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/state.cpt 409584 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/table.xvg 58401 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58629 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58328 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58330 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58690 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58297 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10101 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 10:03 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/ 7429 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 352152 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/398K_75.confout.gro 5541476 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/398K_75.edr 2044 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/398K_75.mdp 9791 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/398K_75.top 302548 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/398K_75.tpr 1838267580 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/398K_75.trr 295655 05-27-2015 10:03 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:06 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1330 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/bonds.xvg 894 05-27-2015 10:03 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1894 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 360 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_398K_75_Prodrun.o3798125 6272 05-27-2015 10:03 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026456 46393 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3799369 94019 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/distance.xvg 41694 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/grompp.log 75606 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/index.ndx 10380 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/mdout-398K_75.mdp 1813072 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_fromquart/cgsim/Prod_run/mdrun.log 10603 01-30-2015 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09.23.14/CGFF/398K_75/iter0_fromquart/summarize_input.txt 0 05-08-2015 08:59 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/ 282464 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/398K_75.tpr 2108 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/L.Pair_Interaction.total.SS.dat 14343 01-30-2015 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16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/inp.txt 75706 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/log.txt 4557 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/out.total.txt 1823 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/par.txt 2064 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/qsub.sh 2059 01-30-2015 16:33 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/qsub_xv.sh 19 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.FF.dat 13775 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.L.dat 5134803 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.M.dat 5000325 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.M2.dat 5676619 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.M_cnt.dat 7 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.Nf.dat 14136 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.b_forces.dat 14146 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.d2M.dat 14382 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.d2b.dat 14393 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.g.dat 15381 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.g_cnt.dat 15381 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/save.rescale.dat 6228 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_1stquarter/summarize_input.txt 0 05-08-2015 08:59 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/ 282464 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/398K_75.tpr 2108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/S.dat 14322 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/S_CONST.dat 2108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/cgff-PEO_398K_75.o3789940 2108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/inp.txt 75684 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/log.txt 4557 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/out.total.txt 1823 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/par.txt 2064 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/qsub.sh 2059 01-30-2015 16:34 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/qsub_xv.sh 19 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.FF.dat 13775 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.L.dat 5132853 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.M.dat 5000325 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.M2.dat 5677015 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.Nf.dat 14123 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.b_forces.dat 14144 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.d2M.dat 14382 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.d2b.dat 14394 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.g.dat 15385 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.g_cnt.dat 15385 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/save.rescale.dat 6228 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_2ndquarter/summarize_input.txt 0 05-08-2015 08:59 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/ 282464 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/398K_75.tpr 2108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/S.dat 14322 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/S_CONST.dat 2108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/cgff-PEO_398K_75.o3789941 2108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/inp.txt 75684 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/log.txt 4557 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/out.total.txt 1823 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/par.txt 2064 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/qsub.sh 2059 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/qsub_xv.sh 19 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.FF.dat 13775 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.L.dat 5132172 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.M.dat 5000325 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.M2.dat 5677269 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.Nf.dat 14139 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.b_forces.dat 14141 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.d2M.dat 14382 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.d2b.dat 14391 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.g.dat 15385 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.g_cnt.dat 15385 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/save.rescale.dat 6228 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_3rdquarter/summarize_input.txt 0 05-08-2015 08:59 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/ 282464 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/398K_75.tpr 2108 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/S.dat 14322 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/S_CONST.dat 2108 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/b_struct.Pair_Interaction.total.SS.dat 650198 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/cgff-PEO_398K_75.o3789942 2108 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/inp.txt 75684 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/log.txt 4557 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/out.total.txt 1823 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/par.txt 2064 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/qsub.sh 2059 01-30-2015 16:35 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/qsub_xv.sh 19 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.FF.dat 13775 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.L.dat 5123021 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.M.dat 5000325 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.M2.dat 5678751 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.M_cnt.dat 7 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.Nf.dat 14122 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.b_forces.dat 14146 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.d2M.dat 14382 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.d2b.dat 14389 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.g.dat 15387 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.g_cnt.dat 15387 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/save.rescale.dat 6228 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_4thquarter/summarize_input.txt 0 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/ 282464 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/398K_75.tpr 14322 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/S.dat 14322 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/S_CONST.dat 2039 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/average_save_states.py 784 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/cgff-PEO_398K_75.o3807006 2108 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/inp.txt 75904 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/log.txt 2994 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/out.total.txt 1787 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/par.txt 2064 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/qsub.sh 2058 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/qsub_xv.sh 18 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.FF.dat 13050 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.L.dat 4876602 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.M.dat 4737150 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.M2.dat 5414660 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.M_cnt.dat 7 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.Nf.dat 13402 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.b_forces.dat 13418 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.b_struct.dat 4737150 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.d2M.dat 13657 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.d2b.dat 13668 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.g.dat 14659 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.g_cnt.dat 14659 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/save.rescale.dat 6100 01-30-2015 16:36 09.23.14/CGFF/398K_75/iter0_refCoul_oldeps_fromquart/summarize_input.txt 0 05-13-2015 03:54 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/ --------- ------- 10737670847 812 files ===================================================== Content of ZIP archive 09.23.14-109.zip ===================================================== Archive: 09.23.14-109.zip Length Date Time Name --------- ---------- ----- ---- 9199057080 05-08-2015 09:02 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/398K_75.rerun_Coul.1stquarter.trr 282464 05-08-2015 11:05 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/398K_75.tpr 2108 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/L.BondStretch.total.bonds.dat 3162 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CC.dat 3193 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CNa.dat 3162 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CS.dat 3193 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SS.dat 14343 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/S.dat 14343 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/S_CONST.dat 2108 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SS.dat 647894 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/cgff-PEO_398K_50.o4010509 2108 05-13-2015 03:53 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09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CC.dat 3193 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CNa.dat 3162 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CS.dat 3193 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SS.dat 2108 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:05 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/inp.txt 75706 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/log.txt 4557 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/out.total.txt 1823 05-08-2015 11:19 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/par.txt 2064 05-08-2015 11:04 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/qsub.sh 2059 05-08-2015 11:04 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/qsub_xv.sh 19 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.FF.dat 13775 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.L.dat 5134803 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.M.dat 5000325 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.M2.dat 5676619 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.M_cnt.dat 7 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.Nf.dat 14136 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.b_forces.dat 14142 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.b_struct.dat 5000325 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.d2M.dat 14382 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.d2b.dat 14393 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.g.dat 15381 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.g_cnt.dat 15381 05-13-2015 03:53 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/save.rescale.dat 6228 05-12-2015 20:26 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_1stquarter/summarize_input.txt 0 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/ --------- ------- 9221128222 61 files ===================================================== Content of ZIP archive 09.23.14-110.zip ===================================================== Archive: 09.23.14-110.zip Length Date Time Name --------- ---------- ----- ---- 9199424660 05-08-2015 09:02 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/398K_75.rerun_Coul.2ndquarter.trr 282464 05-08-2015 11:05 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/398K_75.tpr 2108 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.BondStretch.total.bonds.dat 3162 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/S.dat 14322 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/S_CONST.dat 2108 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 647894 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/cgff-PEO_398K_50.o4010510 2108 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.BondStretch.total.bonds.dat 3162 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/inp.txt 75684 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/log.txt 4557 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/out.total.txt 1823 05-08-2015 11:19 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/par.txt 2064 05-08-2015 11:05 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/qsub.sh 2059 05-08-2015 11:05 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/qsub_xv.sh 19 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.FF.dat 13775 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.L.dat 5132853 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.M.dat 5000325 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.M2.dat 5677015 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.M_cnt.dat 7 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.Nf.dat 14123 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.b_forces.dat 14142 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.b_struct.dat 5000325 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.d2M.dat 14382 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.d2b.dat 14394 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.g.dat 15385 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.g_cnt.dat 15385 05-13-2015 11:17 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.rescale.dat 6228 05-13-2015 03:55 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_2ndquarter/summarize_input.txt 0 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/ --------- ------- 9221494025 61 files ===================================================== Content of ZIP archive 09.23.14-111.zip ===================================================== Archive: 09.23.14-111.zip Length Date Time Name --------- ---------- ----- ---- 9199424660 05-08-2015 09:03 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/398K_75.rerun_Coul.3rdquarter.trr 282464 05-08-2015 11:05 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/398K_75.tpr 2108 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.BondStretch.total.bonds.dat 3162 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SS.dat 14322 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/S.dat 14322 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 2108 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_50.o4010511 2108 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.BondStretch.total.bonds.dat 3162 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/inp.txt 75684 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/log.txt 4557 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/out.total.txt 1823 05-08-2015 11:19 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 11:05 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2059 05-08-2015 11:05 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5132172 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5677269 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.M_cnt.dat 7 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.Nf.dat 14139 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.b_forces.dat 14144 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.b_struct.dat 5000325 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.d2M.dat 14382 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.d2b.dat 14391 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.g.dat 15385 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.g_cnt.dat 15385 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.rescale.dat 6228 05-14-2015 00:33 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_3rdquarter/summarize_input.txt 0 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/ --------- ------- 9221493613 61 files ===================================================== Content of ZIP archive 09.23.14-112.zip ===================================================== Archive: 09.23.14-112.zip Length Date Time Name --------- ---------- ----- ---- 9199057080 05-08-2015 09:03 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/398K_75.rerun_Coul.4thquarter.trr 282464 05-08-2015 11:05 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/398K_75.tpr 2108 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/L.BondStretch.total.bonds.dat 3162 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CC.dat 3193 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CS.dat 3193 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SS.dat 14322 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/S.dat 14322 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/S_CONST.dat 2108 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SS.dat 650198 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/cgff-PEO_398K_50.o4010512 2108 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g.BondStretch.total.bonds.dat 3162 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CC.dat 3193 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CS.dat 3193 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SS.dat 2108 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:08 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/inp.txt 75684 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/log.txt 4557 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/out.total.txt 1823 05-08-2015 11:19 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/par.txt 2064 05-08-2015 11:05 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/qsub.sh 2059 05-08-2015 11:05 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/qsub_xv.sh 19 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.FF.dat 13775 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.L.dat 5123021 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.M.dat 5000325 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.M2.dat 5678751 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.M_cnt.dat 7 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.Nf.dat 14122 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.b_forces.dat 14153 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.b_struct.dat 5000325 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.d2M.dat 14382 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.d2b.dat 14389 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.g.dat 15387 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.g_cnt.dat 15387 05-14-2015 15:39 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/save.rescale.dat 6228 05-14-2015 08:07 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_4thquarter/summarize_input.txt 0 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/ 282464 05-21-2015 07:14 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/398K_75.tpr 14322 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/S.dat 14322 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/S_CONST.dat 2063 05-21-2015 07:14 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 784 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/cgff-PEO_398K_75.o4022587 2108 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.BondStretch.total.bonds.dat 3162 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.BondStretch.total.bonds.dat 3162 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 05-21-2015 07:14 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/inp.txt 75904 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/log.txt 2992 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/out.total.txt 1787 05-21-2015 07:14 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 07:14 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2063 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 18 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.FF.dat 13050 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.L.dat 4876602 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.M.dat 4737150 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.M2.dat 5414660 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.M_cnt.dat 7 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.Nf.dat 13402 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.b_forces.dat 13423 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.d2M.dat 13657 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.d2b.dat 13668 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.g.dat 14659 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.g_cnt.dat 14659 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/save.rescale.dat 6100 05-21-2015 07:15 09.23.14/CGFF/398K_75/iter0_refCoul_preeps-refxn_fromquart/summarize_input.txt 0 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/ 2063 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/average_save_states.py 18 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.FF.dat 13050 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.L.dat 4876602 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.M.dat 4737150 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.M2.dat 5414660 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.M_cnt.dat 7 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.Nf.dat 13402 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.b_forces.dat 13423 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.d2M.dat 13657 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.d2b.dat 13668 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.g.dat 14659 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.g_cnt.dat 14659 05-21-2015 07:43 09.23.14/CGFF/398K_75/save_preeps-refxn_fromquart/save.rescale.dat 0 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/ 1979 05-28-2015 07:30 09.23.14/CGFF/398K_75/save_refxn_fromquart/average_save_states.py 18 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.FF.dat 13050 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.L.dat 4876602 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.M.dat 4737150 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.M2.dat 5414660 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.M_cnt.dat 7 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.Nf.dat 13050 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.b_forces.dat 13428 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.b_struct.dat 4737150 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.d2M.dat 13050 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.d2b.dat 13668 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.g.dat 14659 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.g_cnt.dat 14659 05-28-2015 07:45 09.23.14/CGFF/398K_75/save_refxn_fromquart/save.rescale.dat 0 05-28-2015 07:30 09.23.14/CGFF/398K_83/ 0 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/ 293972 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/398K_83.tpr 2108 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/S.dat 14322 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 327254 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/cgff-PEO_398K_83.o3667851 2108 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/inp.txt 75684 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/log.txt 4557 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/par.txt 2064 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/save.L.dat 5128156 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/save.M2.dat 5657466 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/save.b_forces.dat 14152 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:36 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09.23.14/CGFF/398K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/inp.txt 75706 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/log.txt 4557 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/par.txt 2064 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/save.L.dat 5135209 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_2ndquarter/save.M2.dat 5661052 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16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.L.dat 5130491 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.M2.dat 5664149 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.b_forces.dat 14153 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.d2b.dat 14391 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.g.dat 15344 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.g_cnt.dat 15344 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:36 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16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/inp.txt 75662 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/log.txt 4557 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/par.txt 2064 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.L.dat 5128639 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.M2.dat 5664692 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.b_forces.dat 14154 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.d2b.dat 14400 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.g.dat 15348 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.g_cnt.dat 15348 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/ 293972 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/398K_83.tpr 14322 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/S.dat 14322 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/average_save_states.py 784 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgff-PEO_398K_83.o3798089 0 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/ 0 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Emin/ 6198 01-30-2015 16:36 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09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10098 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Equil/ 7473 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Equil/398K_83.Equil.mdp 368919 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Equil/398K_83.confout.gro 56876 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Equil/398K_83.edr 9792 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Equil/398K_83.top 315028 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Equil/398K_83.tpr 19638876 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Equil/398K_83.trr 375 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/cgsim/Equil/cgPEO_398K_83_Equil.o3799370 41687 01-30-2015 16:36 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01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/inp.txt 75904 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/log.txt 2961 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/out.total.txt 1787 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/par.txt 2064 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/qsub.sh 2058 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/qsub_xv.sh 18 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.FF.dat 13050 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.L.dat 4876043 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.M.dat 4737150 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.M2.dat 5399837 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.M_cnt.dat 7 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.b_forces.dat 13427 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.d2b.dat 13665 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.g.dat 14618 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.g_cnt.dat 14618 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/save.rescale.dat 6100 01-30-2015 16:36 09.23.14/CGFF/398K_83/iter0_fromquart/summarize_input.txt 0 05-26-2015 03:02 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/ --------- ------- 1950757314 96 files ===================================================== Content of ZIP archive 09.23.14-114.zip ===================================================== Archive: 09.23.14-114.zip Length Date Time Name --------- ---------- ----- ---- 9636911976 05-08-2015 09:08 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/398K_83.rerun_Coul.1stquarter.trr 293972 05-08-2015 11:10 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/398K_83.tpr 2108 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/L.BondStretch.total.bonds.dat 3162 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CC.dat 3193 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CS.dat 3193 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SS.dat 14322 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/S.dat 14322 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/S_CONST.dat 2108 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SS.dat 636566 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/cgff-PEO_398K_50.o4010513 2108 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/g.BondStretch.total.bonds.dat 3162 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CC.dat 3193 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CS.dat 3193 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 05-15-2015 00:15 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09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/inp.txt 75684 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/log.txt 4557 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/out.total.txt 1823 05-08-2015 11:20 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/par.txt 2064 05-08-2015 11:10 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/qsub.sh 2059 05-08-2015 11:10 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/qsub_xv.sh 19 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/save.FF.dat 13775 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/save.L.dat 5128156 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/save.M.dat 5000325 05-15-2015 00:15 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_1stquarter/save.M2.dat 5657466 05-15-2015 00:15 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09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/ --------- ------- 9658957153 61 files ===================================================== Content of ZIP archive 09.23.14-115.zip ===================================================== Archive: 09.23.14-115.zip Length Date Time Name --------- ---------- ----- ---- 9637297052 05-08-2015 09:08 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/398K_83.rerun_Coul.2ndquarter.trr 293972 05-08-2015 11:11 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/398K_83.tpr 2108 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.BondStretch.total.bonds.dat 3162 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CNa.dat 3162 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SS.dat 14343 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/S.dat 14343 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/S_CONST.dat 2108 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 05-17-2015 16:40 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09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:12 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/inp.txt 75706 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/log.txt 4557 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/out.total.txt 1823 05-08-2015 11:20 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/par.txt 2064 05-08-2015 11:11 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/qsub.sh 2059 05-08-2015 11:11 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/qsub_xv.sh 19 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.FF.dat 13775 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.L.dat 5135209 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.M.dat 5000325 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.M2.dat 5661052 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.M_cnt.dat 7 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.Nf.dat 14118 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.b_forces.dat 14142 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.b_struct.dat 5000325 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.d2M.dat 14382 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.d2b.dat 14382 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.g.dat 15344 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.g_cnt.dat 15344 05-17-2015 16:40 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.rescale.dat 6228 05-17-2015 08:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_2ndquarter/summarize_input.txt 0 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/ --------- ------- 9659364438 61 files ===================================================== Content of ZIP archive 09.23.14-116.zip ===================================================== Archive: 09.23.14-116.zip Length Date Time Name --------- ---------- ----- ---- 9637297052 05-08-2015 09:08 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/398K_83.rerun_Coul.3rdquarter.trr 293972 05-08-2015 11:11 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/398K_83.tpr 2077 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.BondStretch.total.bonds.dat 3162 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/S.dat 14301 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 2077 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_50.o4010515 2077 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.BondStretch.total.bonds.dat 3162 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:13 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/inp.txt 75662 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/log.txt 4557 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/out.total.txt 1823 05-08-2015 11:20 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 11:11 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2059 05-08-2015 11:11 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5130491 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5664149 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.M_cnt.dat 7 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.Nf.dat 14133 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.b_forces.dat 14144 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.b_struct.dat 5000325 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.d2M.dat 14382 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.d2b.dat 14391 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.g.dat 15344 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.g_cnt.dat 15344 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.rescale.dat 6228 05-17-2015 16:41 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_3rdquarter/summarize_input.txt 0 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/ --------- ------- 9659362405 61 files ===================================================== Content of ZIP archive 09.23.14-117.zip ===================================================== Archive: 09.23.14-117.zip Length Date Time Name --------- ---------- ----- ---- 9636911976 05-08-2015 09:09 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/398K_83.rerun_Coul.4thquarter.trr 293972 05-08-2015 11:11 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/398K_83.tpr 2077 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/L.BondStretch.total.bonds.dat 3162 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CC.dat 3193 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CS.dat 3193 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SS.dat 14301 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/S.dat 14301 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/S_CONST.dat 2077 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SS.dat 649046 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/cgff-PEO_398K_50.o4010516 2077 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2077 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g.BondStretch.total.bonds.dat 3162 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CC.dat 3193 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CS.dat 3193 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SS.dat 2077 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:13 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/inp.txt 75662 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/log.txt 4557 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/out.total.txt 1823 05-08-2015 11:20 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/par.txt 2064 05-08-2015 11:11 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/qsub.sh 2059 05-08-2015 11:11 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/qsub_xv.sh 19 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.FF.dat 13775 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.L.dat 5128639 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.M.dat 5000325 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.M2.dat 5664692 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.M_cnt.dat 7 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.Nf.dat 14129 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.b_forces.dat 14146 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.b_struct.dat 5000325 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.d2M.dat 14384 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.d2b.dat 14400 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.g.dat 15348 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.g_cnt.dat 15348 05-18-2015 09:33 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/save.rescale.dat 6228 05-18-2015 01:06 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_4thquarter/summarize_input.txt 0 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/ 293972 05-21-2015 07:16 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/398K_83.tpr 14322 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/S.dat 14322 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/S_CONST.dat 2063 05-21-2015 07:16 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 784 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/cgff-PEO_398K_83.o4022588 2108 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.BondStretch.total.bonds.dat 3162 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.BondStretch.total.bonds.dat 3162 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SS.dat 108 05-21-2015 07:16 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/inp.txt 75904 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/log.txt 2993 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/out.total.txt 1787 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 07:16 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2063 05-21-2015 07:16 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 18 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.FF.dat 13050 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.L.dat 4876043 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.M.dat 4737150 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.M2.dat 5399837 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.M_cnt.dat 7 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.Nf.dat 13396 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.b_forces.dat 13421 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.d2M.dat 13658 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.d2b.dat 13665 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.g.dat 14618 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.g_cnt.dat 14618 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/save.rescale.dat 6111 05-21-2015 07:17 09.23.14/CGFF/398K_83/iter0_refCoul_preeps-refxn_fromquart/summarize_input.txt 0 05-26-2015 03:02 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/ 2063 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/average_save_states.py 18 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.FF.dat 13050 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.L.dat 4876043 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.M.dat 4737150 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.M2.dat 5399837 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.M_cnt.dat 7 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.Nf.dat 13396 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.b_forces.dat 13421 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.d2M.dat 13658 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.d2b.dat 13665 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.g.dat 14618 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.g_cnt.dat 14618 05-21-2015 07:44 09.23.14/CGFF/398K_83/save_preeps-refxn_fromquart/save.rescale.dat 0 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/ 1979 05-28-2015 07:30 09.23.14/CGFF/398K_83/save_refxn_fromquart/average_save_states.py 18 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.FF.dat 13050 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.L.dat 4876043 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.M.dat 4737150 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.M2.dat 5399837 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.M_cnt.dat 7 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.Nf.dat 13050 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.b_forces.dat 13427 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.b_struct.dat 4737150 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.d2M.dat 13050 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.d2b.dat 13665 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.g.dat 14618 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.g_cnt.dat 14618 05-28-2015 07:46 09.23.14/CGFF/398K_83/save_refxn_fromquart/save.rescale.dat 0 05-28-2015 05:54 09.23.14/CGFF/423K_100/ 0 05-25-2015 11:10 09.23.14/CGFF/423K_100/iter0_1stquarter/ 282920 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/423K_100.tpr 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/L.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 7896 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/S.dat 7896 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/S_CONST.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 333110 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/cgff-PEO_423K_100.o3789915 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/g.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/inp.txt 41813 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/log.txt 2607 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/out.total.txt 1742 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/par.txt 2065 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/qsub.sh 2060 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.FF.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.L.dat 1552642 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.M.dat 1508619 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.M2.dat 1766797 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.Nf.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.b_forces.dat 7778 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.b_struct.dat 1508619 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.d2M.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.d2b.dat 7875 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.g.dat 8559 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.g_cnt.dat 8559 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/save.rescale.dat 4216 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/ 282920 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/423K_100.tpr 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 7896 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/S.dat 7896 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/S_CONST.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 333110 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/cgff-PEO_423K_100.o3668294 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/inp.txt 41813 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/log.txt 2607 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/out.total.txt 1742 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/par.txt 2065 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/qsub.sh 2060 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.FF.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.L.dat 1552137 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.M.dat 1508619 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.M2.dat 1767185 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.Nf.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.b_forces.dat 7777 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.b_struct.dat 1508619 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.d2M.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.d2b.dat 7880 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.g.dat 8563 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.g_cnt.dat 8563 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/save.rescale.dat 4216 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/ 282920 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/423K_100.tpr 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 7896 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/S.dat 7896 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/S_CONST.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 333110 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/cgff-PEO_423K_100.o3789916 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/inp.txt 41813 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/log.txt 2607 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/out.total.txt 1742 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/par.txt 2065 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/qsub.sh 2060 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.FF.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.L.dat 1551368 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.M.dat 1508619 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.M2.dat 1767847 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.Nf.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.b_forces.dat 7777 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.b_struct.dat 1508619 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.d2M.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.d2b.dat 7878 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.g.dat 8563 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.g_cnt.dat 8563 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/save.rescale.dat 4216 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/ 282920 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/423K_100.tpr 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 7875 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/S.dat 7875 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/S_CONST.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 334262 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/cgff-PEO_423K_100.o3789917 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 110 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/inp.txt 41791 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/log.txt 2607 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/out.total.txt 1742 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/par.txt 2065 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/qsub.sh 2060 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.FF.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.L.dat 1551791 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.M.dat 1508619 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.M2.dat 1766793 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.Nf.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.b_forces.dat 7776 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.b_struct.dat 1508619 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.d2M.dat 7562 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.d2b.dat 7873 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.g.dat 8558 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.g_cnt.dat 8558 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/save.rescale.dat 4216 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:37 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09.23.14/CGFF/423K_100/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10080 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_fromquart/edit/ 394 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_fromquart/edit/copy_forces.sh 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_fromquart/edit/f_SNa.dat 3069 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_fromquart/edit/f_SS.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_fromquart/edit/f_bond.dat 2077 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3224 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_100/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:37 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09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_1stquarter/save.g.dat 14772 05-25-2015 10:19 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_1stquarter/save.g_cnt.dat 14772 05-25-2015 10:19 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_1stquarter/save.rescale.dat 6232 05-24-2015 18:30 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_1stquarter/summarize_input.txt 0 05-25-2015 14:39 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/ --------- ------- 12645287406 98 files ===================================================== Content of ZIP archive 09.23.14-119.zip ===================================================== Archive: 09.23.14-119.zip Length Date Time Name --------- ---------- ----- ---- 10513041836 05-08-2015 09:48 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/423K_100.rerun_Coul.2ndquarter.trr 282920 05-08-2015 11:52 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/423K_100.tpr 0 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/S_CONST.dat 433043 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/cgff-PEO_398K_25.o4022580 110 05-08-2015 11:54 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/inp.txt 75774 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/log.txt 1825 05-08-2015 11:54 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/par.txt 2064 05-08-2015 11:52 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/qsub.sh 2064 05-21-2015 03:59 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/qsub_xv.sh 19 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.FF.dat 13775 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.L.dat 5043843 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.M.dat 5000325 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.M2.dat 5269148 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.M_cnt.dat 7 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.Nf.dat 13985 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.b_forces.dat 14316 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.b_struct.dat 5000325 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.d2M.dat 14168 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.d2b.dat 14093 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.g.dat 14776 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.g_cnt.dat 14776 05-25-2015 14:38 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/save.rescale.dat 6232 05-24-2015 22:49 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_2ndquarter/summarize_input.txt 0 05-25-2015 15:10 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/ 10513041836 05-08-2015 09:49 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/423K_100.rerun_Coul.3rdquarter.trr 282920 05-08-2015 11:52 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/423K_100.tpr 0 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 433043 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_25.o4022581 110 05-08-2015 11:54 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/inp.txt 75774 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/log.txt 1825 05-08-2015 11:54 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 11:52 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2064 05-21-2015 03:59 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5043074 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5269968 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.M_cnt.dat 7 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.Nf.dat 13979 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.b_forces.dat 14318 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.b_struct.dat 5000325 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.d2M.dat 14167 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.d2b.dat 14091 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.g.dat 14776 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.g_cnt.dat 14776 05-25-2015 15:09 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/save.rescale.dat 6232 05-24-2015 23:24 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_3rdquarter/summarize_input.txt 0 05-26-2015 01:55 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/ --------- ------- 21068518892 48 files ===================================================== Content of ZIP archive 09.23.14-120.zip ===================================================== Archive: 09.23.14-120.zip Length Date Time Name --------- ---------- ----- ---- 10512621768 05-08-2015 09:49 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/423K_100.rerun_Coul.4thquarter.trr 282920 05-08-2015 11:52 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/423K_100.tpr 0 05-26-2015 01:55 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/S_CONST.dat 434579 05-26-2015 01:55 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/cgff-PEO_398K_25.o4022582 110 05-08-2015 11:55 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/inp.txt 75752 05-26-2015 01:55 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/log.txt 1825 05-08-2015 11:55 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/par.txt 2064 05-08-2015 11:52 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/qsub.sh 2064 05-21-2015 03:59 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/qsub_xv.sh 19 05-26-2015 01:55 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/save.FF.dat 13775 05-26-2015 01:55 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/save.L.dat 5043497 05-26-2015 01:55 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09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/save.rescale.dat 6232 05-25-2015 10:20 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_4thquarter/summarize_input.txt 0 05-21-2015 07:52 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_fromquart/ 282920 05-21-2015 07:52 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_fromquart/423K_100.tpr 2063 05-21-2015 07:48 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 110 05-21-2015 07:52 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_fromquart/inp.txt 1788 05-21-2015 07:52 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 07:48 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2064 05-21-2015 07:52 09.23.14/CGFF/423K_100/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 0 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/ 282920 05-28-2015 05:49 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/423K_100.tpr 0 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/S_CONST.dat 223059 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/cgff-PEO_398K_25.o4027233 110 05-28-2015 05:49 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/inp.txt 75774 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/log.txt 1733 05-28-2015 05:51 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/par.txt 2064 05-28-2015 05:49 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/qsub.sh 2064 05-28-2015 05:49 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/qsub_xv.sh 19 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.FF.dat 13775 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.L.dat 5044348 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.M.dat 5000325 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.M2.dat 5268818 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.M_cnt.dat 7 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.Nf.dat 13775 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.b_forces.dat 14318 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.b_struct.dat 5000325 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.d2M.dat 13775 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.d2b.dat 14088 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.g.dat 14772 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.g_cnt.dat 14772 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/save.rescale.dat 5949 05-28-2015 06:00 09.23.14/CGFF/423K_100/iter0_refxn_1stquarter/summarize_input.txt 0 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/ 282920 05-28-2015 05:51 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/423K_100.tpr 0 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/S_CONST.dat 223059 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/cgff-PEO_398K_25.o4027234 110 05-28-2015 05:52 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/inp.txt 75774 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/log.txt 1733 05-28-2015 05:51 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/par.txt 2064 05-28-2015 05:51 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/qsub.sh 2064 05-28-2015 05:51 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/qsub_xv.sh 19 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.FF.dat 13775 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.L.dat 5043843 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.M.dat 5000325 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.M2.dat 5269148 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.M_cnt.dat 7 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.Nf.dat 13775 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.b_forces.dat 14317 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.b_struct.dat 5000325 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.d2M.dat 13775 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.d2b.dat 14093 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.g.dat 14776 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.g_cnt.dat 14776 05-29-2015 13:27 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/save.rescale.dat 5949 05-28-2015 21:37 09.23.14/CGFF/423K_100/iter0_refxn_2ndquarter/summarize_input.txt 0 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/ 282920 05-28-2015 05:52 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/423K_100.tpr 0 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/S_CONST.dat 223059 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/cgff-PEO_398K_25.o4027235 110 05-28-2015 05:53 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/inp.txt 75774 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/log.txt 1733 05-28-2015 05:52 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/par.txt 2064 05-28-2015 05:52 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/qsub.sh 2064 05-28-2015 05:52 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/qsub_xv.sh 19 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.FF.dat 13775 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.L.dat 5043074 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.M.dat 5000325 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.M2.dat 5269968 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.M_cnt.dat 7 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.Nf.dat 13775 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.b_forces.dat 14317 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.b_struct.dat 5000325 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.d2M.dat 13775 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.d2b.dat 14091 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.g.dat 14776 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.g_cnt.dat 14776 05-30-2015 05:01 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/save.rescale.dat 5949 05-29-2015 13:28 09.23.14/CGFF/423K_100/iter0_refxn_3rdquarter/summarize_input.txt 0 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/ 282920 05-28-2015 05:52 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/423K_100.tpr 0 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/S_CONST.dat 223827 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/cgff-PEO_398K_25.o4027236 110 05-28-2015 05:53 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/inp.txt 75752 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/log.txt 1733 05-28-2015 05:52 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/par.txt 2064 05-28-2015 05:52 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/qsub.sh 2064 05-28-2015 05:52 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/qsub_xv.sh 19 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/save.FF.dat 13775 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/save.L.dat 5043497 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/save.M.dat 5000325 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/save.M2.dat 5268888 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/save.M_cnt.dat 7 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/save.Nf.dat 13775 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/save.b_forces.dat 14316 05-30-2015 20:30 09.23.14/CGFF/423K_100/iter0_refxn_4thquarter/save.b_struct.dat 5000325 05-30-2015 20:30 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09.23.14/CGFF/423K_100/save_refxn_fromquart/save.rescale.dat 0 05-28-2015 07:30 09.23.14/CGFF/423K_25/ 0 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/ 212480 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/423K_25.tpr 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/S.dat 14280 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 326870 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/cgff-PEO_423K_25.o3667865 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 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09.23.14/CGFF/423K_25/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/inp.txt 75640 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/log.txt 4557 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/par.txt 2064 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.L.dat 5122558 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.M2.dat 5607656 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.b_forces.dat 14148 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.d2b.dat 14398 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.g.dat 15186 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.g_cnt.dat 15186 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/ 212480 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/423K_25.tpr 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/S.dat 14280 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/cgff-PEO_423K_25.o3667866 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/inp.txt 75640 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/log.txt 4557 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/par.txt 2064 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.L.dat 5120910 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.M2.dat 5606717 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.b_forces.dat 14138 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.d2b.dat 14399 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.g.dat 15183 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.g_cnt.dat 15183 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/ 212480 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/423K_25.tpr 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/S.dat 14280 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/cgff-PEO_423K_25.o3667867 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 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09.23.14/CGFF/423K_25/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/inp.txt 75640 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/log.txt 4557 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/par.txt 2064 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.L.dat 5117401 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.M2.dat 5606996 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.b_forces.dat 14151 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.d2b.dat 14403 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.g.dat 15184 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.g_cnt.dat 15184 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/ 212480 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/423K_25.tpr 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/S.dat 14280 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 333110 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/cgff-PEO_423K_25.o3667868 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/inp.txt 75640 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/log.txt 4557 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/par.txt 2064 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.L.dat 5117835 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.M2.dat 5606331 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.b_forces.dat 14149 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.d2b.dat 14399 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.g.dat 15184 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.g_cnt.dat 15184 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/ 212480 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/423K_25.tpr 14280 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/S.dat 14280 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/average_save_states.py 784 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgff-PEO_423K_25.o3789898 0 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/ 0 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/ 5801 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 164067 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/423K_25.1frame.gro 164070 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/423K_25.Emin.gro 2060 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/423K_25.Emin.mdp 142744 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/423K_25.edr 9790 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/423K_25.top 226728 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/423K_25.tpr 175124 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/423K_25.trr 38 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/cgPEO_423K_25_Emin.o3789981 41580 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/grompp.log 60831 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/mdout-423K_25.mdp 115519 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/mdrun.log 10604 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/mol_types_423K_25.itp 226 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2097 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/table.xvg 58366 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58589 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58332 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58347 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58677 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10101 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/ 7416 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/423K_25.Equil.mdp 251550 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/423K_25.confout.gro 56876 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/423K_25.edr 9790 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/423K_25.top 226728 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/423K_25.tpr 13392804 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/423K_25.trr 375 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/cgPEO_423K_25_Equil.o3790014 41687 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/grompp.log 60831 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/mdout-423K_25.mdp 35200 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/mdrun.log 10604 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/mol_types_423K_25.itp 228 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/run_gmx.sh 304608 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/state.cpt 389098 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/table.xvg 58366 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58589 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58332 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58347 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58677 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58297 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10101 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 07:22 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/ 7437 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 251550 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/423K_25.confout.gro 5541476 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/423K_25.edr 2044 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/423K_25.mdp 9790 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/423K_25.top 226728 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/423K_25.tpr 1313282604 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/423K_25.trr 295650 05-27-2015 07:22 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:14 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1330 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/bonds.xvg 894 05-27-2015 07:21 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1894 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 375 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/cgPEO_423K_25_Prodrun.o3798094 6271 05-27-2015 07:22 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026287 46339 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3799372 94019 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/distance.xvg 41693 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/grompp.log 60831 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/index.ndx 10380 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/mdout-423K_25.mdp 1812761 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/mdrun.log 10604 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/mol_types_423K_25.itp 230 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:18 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 31573 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/rdf_C-C.xvg 31572 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/rdf_C-Na.xvg 31573 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/rdf_C-S.xvg 31571 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 31571 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 31573 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2109 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 304608 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/state.cpt 304608 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/table.xvg 58366 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/table_C_C.xvg 58589 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/table_C_Na.xvg 58332 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/table_C_S.xvg 58347 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58677 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58297 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10101 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/ 391 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/copy_forces.sh 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_SS.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_bond.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/f_zero.dat 1051 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/table.xvg 58366 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/table_C_C.xvg 58589 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/table_C_Na.xvg 58332 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/table_C_S.xvg 58347 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/table_Na_Na.xvg 58677 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/table_S_Na.xvg 58297 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/table_S_S.xvg 10101 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/edit/table_b0.xvg 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_forces.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/inp.txt 75860 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/log.txt 2961 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/out.total.txt 1787 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/par.txt 2064 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/qsub.sh 2058 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/qsub_xv.sh 18 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.FF.dat 13050 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.L.dat 4860155 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.M.dat 4737150 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.M2.dat 5343880 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.M_cnt.dat 7 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.b_forces.dat 13415 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.d2b.dat 13677 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.g.dat 14459 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.g_cnt.dat 14459 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/save.rescale.dat 6100 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_fromquart/summarize_input.txt 0 05-08-2015 08:59 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/ 212480 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/423K_25.tpr 2108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/S.dat 14280 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/S_CONST.dat 2108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.SS.dat 635798 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/cgff-PEO_423K_25.o3789943 2108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/inp.txt 75640 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/log.txt 4557 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/out.total.txt 1823 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/par.txt 2064 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/qsub.sh 2059 01-30-2015 16:37 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/qsub_xv.sh 19 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.FF.dat 13775 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.L.dat 5122558 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.M.dat 5000325 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.M2.dat 5607656 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.M_cnt.dat 7 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.Nf.dat 14106 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.b_forces.dat 14126 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.d2M.dat 14381 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.d2b.dat 14398 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.g.dat 15186 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.g_cnt.dat 15186 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/save.rescale.dat 6228 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_1stquarter/summarize_input.txt 0 05-08-2015 09:00 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/ 212480 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/423K_25.tpr 2108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/S.dat 14280 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/S_CONST.dat 2108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/cgff-PEO_423K_25.o3789944 2108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/inp.txt 75640 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/log.txt 4557 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/out.total.txt 1823 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/par.txt 2064 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/qsub.sh 2059 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/qsub_xv.sh 19 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.FF.dat 13775 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.L.dat 5120910 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.M.dat 5000325 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.M2.dat 5606717 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.Nf.dat 14113 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.b_forces.dat 14125 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.d2M.dat 14382 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.d2b.dat 14399 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.g.dat 15183 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.g_cnt.dat 15183 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.rescale.dat 6228 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_2ndquarter/summarize_input.txt 0 05-08-2015 09:00 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/ 212480 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/423K_25.tpr 2108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/S.dat 14280 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/S_CONST.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/cgff-PEO_423K_25.o3789945 2108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/inp.txt 75640 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/log.txt 4557 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/out.total.txt 1823 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/par.txt 2064 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/qsub.sh 2059 01-30-2015 16:38 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/qsub_xv.sh 19 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.FF.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.L.dat 5117401 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.M.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.M2.dat 5606996 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.Nf.dat 14108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.b_forces.dat 14128 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.d2M.dat 14383 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.d2b.dat 14403 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.g.dat 15184 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.g_cnt.dat 15184 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.rescale.dat 6228 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_3rdquarter/summarize_input.txt 0 05-08-2015 09:00 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/ 212480 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/423K_25.tpr 2108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.SS.dat 14280 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/S.dat 14280 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/S_CONST.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.SS.dat 648278 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/cgff-PEO_423K_25.o3789946 2108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/inp.txt 75640 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/log.txt 4557 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/out.total.txt 1823 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/qsub.sh 2059 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/qsub_xv.sh 19 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.FF.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.L.dat 5117835 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.M.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.M2.dat 5606331 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.Nf.dat 14097 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.b_forces.dat 14133 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.d2M.dat 14382 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.d2b.dat 14399 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.g.dat 15184 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.g_cnt.dat 15184 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/save.rescale.dat 6228 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_4thquarter/summarize_input.txt 0 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/ 212480 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/423K_25.tpr 14280 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/S.dat 14280 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/S_CONST.dat 2075 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/average_save_states.py 784 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/cgff-PEO_423K_25.o3807019 2108 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/f_forces.Pair_Interaction.total.CS.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 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09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/log.txt 2986 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/out.total.txt 1787 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/qsub.sh 2058 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/qsub_xv.sh 18 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.FF.dat 13050 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.L.dat 4860155 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.M.dat 4737150 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.M2.dat 5343880 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.Nf.dat 13380 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.b_forces.dat 13396 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.b_struct.dat 4737150 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.d2M.dat 13657 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.d2b.dat 13677 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.g.dat 14459 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.g_cnt.dat 14459 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/save.rescale.dat 6100 01-30-2015 16:39 09.23.14/CGFF/423K_25/iter0_refCoul_oldeps_scale0.8_fromquart/summarize_input.txt 0 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/ --------- ------- 12212328962 833 files ===================================================== Content of ZIP archive 09.23.14-121.zip ===================================================== Archive: 09.23.14-121.zip Length Date Time Name --------- ---------- ----- ---- 6571927704 05-08-2015 09:13 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/423K_25.rerun_Coul.1stquarter.trr 212480 05-08-2015 11:15 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/423K_25.tpr 2108 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/L.BondStretch.total.bonds.dat 3162 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CC.dat 3193 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CS.dat 3162 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SS.dat 14280 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/S.dat 14280 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/S_CONST.dat 2108 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-18-2015 12:47 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3162 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09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_2ndquarter/inp.txt 75640 05-21-2015 11:01 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_2ndquarter/log.txt 4557 05-21-2015 11:01 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_2ndquarter/out.total.txt 1823 05-08-2015 11:23 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_2ndquarter/par.txt 2064 05-08-2015 11:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_2ndquarter/qsub.sh 2064 05-21-2015 03:51 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_2ndquarter/qsub_xv.sh 19 05-21-2015 11:01 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.FF.dat 13775 05-21-2015 11:01 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.L.dat 5120910 05-21-2015 11:01 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.M.dat 5000325 05-21-2015 11:01 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_2ndquarter/save.M2.dat 5636939 05-21-2015 11:01 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09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/ 6572190308 05-08-2015 09:14 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/423K_25.rerun_Coul.3rdquarter.trr 212480 05-08-2015 11:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/423K_25.tpr 2108 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.BondStretch.total.bonds.dat 3162 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CS.dat 3162 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SS.dat 14280 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/S.dat 14280 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 2108 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3162 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 431926 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_25.o4022557 2108 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3162 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.BondStretch.total.bonds.dat 3162 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CS.dat 3162 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:23 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/inp.txt 75640 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/log.txt 4557 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/out.total.txt 1823 05-08-2015 11:24 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 11:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2064 05-21-2015 03:51 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5117401 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-21-2015 17:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5637205 05-21-2015 17:21 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09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/ --------- ------- 19781672938 183 files ===================================================== Content of ZIP archive 09.23.14-122.zip ===================================================== Archive: 09.23.14-122.zip Length Date Time Name --------- ---------- ----- ---- 6571927704 05-08-2015 09:14 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/423K_25.rerun_Coul.4thquarter.trr 212480 05-08-2015 11:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/423K_25.tpr 2108 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/L.BondStretch.total.bonds.dat 3162 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CC.dat 3193 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CS.dat 3162 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SS.dat 14280 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/S.dat 14280 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/S_CONST.dat 2108 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-22-2015 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09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3162 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g.BondStretch.total.bonds.dat 3162 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CC.dat 3193 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CS.dat 3162 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SS.dat 2108 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3162 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:24 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/inp.txt 75640 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/log.txt 4557 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/out.total.txt 1823 05-08-2015 11:24 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/par.txt 2064 05-08-2015 11:21 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/qsub.sh 2064 05-21-2015 03:52 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/qsub_xv.sh 19 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.FF.dat 13775 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.L.dat 5117835 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.M.dat 5000325 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.M2.dat 5636532 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.M_cnt.dat 7 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.Nf.dat 14097 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.b_forces.dat 14136 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.b_struct.dat 5000325 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.d2M.dat 14382 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.d2b.dat 14399 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.g.dat 15184 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.g_cnt.dat 15184 05-22-2015 01:46 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/save.rescale.dat 6228 05-21-2015 21:48 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_4thquarter/summarize_input.txt 0 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/ 212480 05-21-2015 07:44 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/423K_25.tpr 14280 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/S.dat 14280 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/S_CONST.dat 2063 05-21-2015 07:45 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 784 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/cgff-PEO_423K_25.o4025651 2108 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.BondStretch.total.bonds.dat 3162 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CS.dat 3162 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.BondStretch.total.bonds.dat 3162 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3162 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 05-21-2015 07:44 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/inp.txt 75860 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/log.txt 2983 05-26-2015 02:37 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/out.total.txt 1787 05-21-2015 07:44 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 07:44 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2063 05-21-2015 07:45 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 18 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.FF.dat 13050 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.L.dat 4860155 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.M.dat 4737150 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.M2.dat 5367453 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.M_cnt.dat 7 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.Nf.dat 13380 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.b_forces.dat 13398 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.d2M.dat 13657 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.d2b.dat 13677 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.g.dat 14459 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.g_cnt.dat 14459 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/save.rescale.dat 6100 05-26-2015 02:36 09.23.14/CGFF/423K_25/iter0_refCoul_preeps-refxn_fromquart/summarize_input.txt 0 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/ 2063 05-21-2015 07:46 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/average_save_states.py 18 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.FF.dat 13050 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.L.dat 4860155 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.M.dat 4737150 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.M2.dat 5367453 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.M_cnt.dat 7 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.Nf.dat 13380 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.b_forces.dat 13398 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.d2M.dat 13657 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.d2b.dat 13677 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.g.dat 14459 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.g_cnt.dat 14459 05-26-2015 02:37 09.23.14/CGFF/423K_25/save_preeps-refxn_fromquart/save.rescale.dat 0 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/ 1979 05-28-2015 07:30 09.23.14/CGFF/423K_25/save_refxn_fromquart/average_save_states.py 18 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.FF.dat 13050 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.L.dat 4860155 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.M.dat 4737150 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.M2.dat 5343880 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.M_cnt.dat 7 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.Nf.dat 13050 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.b_forces.dat 13415 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.b_struct.dat 4737150 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.d2M.dat 13050 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.d2b.dat 13677 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.g.dat 14459 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.g_cnt.dat 14459 05-28-2015 07:43 09.23.14/CGFF/423K_25/save_refxn_fromquart/save.rescale.dat 0 05-28-2015 07:30 09.23.14/CGFF/423K_38/ 0 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/ 230744 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/423K_38.tpr 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/S.dat 14301 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 330669 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/cgff-PEO_423K_38.o3667869 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/inp.txt 75662 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/log.txt 4557 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.L.dat 5127894 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.M2.dat 5647112 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.b_forces.dat 14149 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.d2b.dat 14395 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.g.dat 15276 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.g_cnt.dat 15276 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/ 230744 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/423K_38.tpr 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/S.dat 14301 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 340598 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/cgff-PEO_423K_38.o3667870 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/inp.txt 75662 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/log.txt 4557 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.L.dat 5130034 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.M2.dat 5649827 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.b_forces.dat 14143 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.d2b.dat 14406 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.g.dat 15278 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.g_cnt.dat 15278 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/ 230744 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/423K_38.tpr 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/S.dat 14301 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 340598 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/cgff-PEO_423K_38.o3667871 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/inp.txt 75662 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/log.txt 4557 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.L.dat 5133145 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.M2.dat 5650274 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.b_forces.dat 14139 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.d2b.dat 14399 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.g.dat 15277 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.g_cnt.dat 15277 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/ 230744 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/423K_38.tpr 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/S.dat 14301 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 344630 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/cgff-PEO_423K_38.o3667872 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/inp.txt 75662 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/log.txt 4557 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.L.dat 5130076 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.M2.dat 5652695 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.b_forces.dat 14147 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.d2b.dat 14398 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.g.dat 15276 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.g_cnt.dat 15276 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/ 230744 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/423K_38.tpr 14301 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/S.dat 14301 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/average_save_states.py 784 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgff-PEO_423K_38.o3789900 0 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/ 0 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/ 5838 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 181082 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/423K_38.1frame.gro 181080 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/423K_38.Emin.gro 2060 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/423K_38.Emin.mdp 197788 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/423K_38.edr 9789 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/423K_38.top 246508 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/423K_38.tpr 193268 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/423K_38.trr 38 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/cgPEO_423K_38_Emin.o3789984 41617 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/grompp.log 64662 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/mdout-423K_38.mdp 156078 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/mdrun.log 10601 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/mol_types_423K_38.itp 226 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2097 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/table.xvg 58373 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58603 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58335 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58333 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58684 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58298 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10099 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/ 7534 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/423K_38.Equil.mdp 277632 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/423K_38.confout.gro 56876 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/423K_38.edr 9789 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/423K_38.top 246508 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/423K_38.tpr 14780820 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/423K_38.trr 375 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/cgPEO_423K_38_Equil.o3790015 41676 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/grompp.log 64662 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/mdout-423K_38.mdp 35390 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/mdrun.log 10601 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/mol_types_423K_38.itp 228 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/run_gmx.sh 331824 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/state.cpt 331824 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/table.xvg 58373 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58603 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58335 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58333 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58684 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58298 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10099 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 07:21 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/ 7430 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 277632 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/423K_38.confout.gro 5541476 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/423K_38.edr 2044 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/423K_38.mdp 9789 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/423K_38.top 246508 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/423K_38.tpr 1449389820 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/423K_38.trr 295643 05-27-2015 07:21 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:12 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1330 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/bonds.xvg 894 05-27-2015 07:21 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1894 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 375 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_423K_38_Prodrun.o3798096 6262 05-27-2015 07:21 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026286 46366 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3799373 94019 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/distance.xvg 41706 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/grompp.log 64662 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/index.ndx 10380 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/mdout-423K_38.mdp 1812753 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/mdrun.log 10601 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/mol_types_423K_38.itp 230 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:18 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 32079 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-C.xvg 32080 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-Na.xvg 32080 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/rdf_C-S.xvg 32078 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 32078 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 32079 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2109 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 331824 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/state.cpt 331824 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/table.xvg 58373 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/table_C_C.xvg 58603 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/table_C_Na.xvg 58335 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/table_C_S.xvg 58333 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58684 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58298 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10099 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/ 391 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/copy_forces.sh 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_bond.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/f_zero.dat 1051 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/table.xvg 58373 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/table_C_C.xvg 58603 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/table_C_Na.xvg 58335 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/table_C_S.xvg 58333 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/table_Na_Na.xvg 58684 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/table_S_Na.xvg 58298 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/table_S_S.xvg 10099 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/edit/table_b0.xvg 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/inp.txt 75882 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/log.txt 2961 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/out.total.txt 1787 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/qsub.sh 2058 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/qsub_xv.sh 18 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.FF.dat 13050 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.L.dat 4872285 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.M.dat 4737150 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.M2.dat 5386895 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.b_forces.dat 13423 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.d2b.dat 13678 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.g.dat 14551 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.g_cnt.dat 14551 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/save.rescale.dat 6100 01-30-2015 16:39 09.23.14/CGFF/423K_38/iter0_fromquart/summarize_input.txt 0 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/ 6962925500 05-08-2015 09:19 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/423K_38.rerun_Coul.1stquarter.trr 230744 05-08-2015 11:25 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/423K_38.tpr 2108 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/L.BondStretch.total.bonds.dat 3162 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CC.dat 3193 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CS.dat 3193 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SNa.dat 3038 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SS.dat 14301 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/S.dat 14301 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/S_CONST.dat 2108 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SS.dat 427958 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/cgff-PEO_398K_25.o4022559 2108 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g.BondStretch.total.bonds.dat 3162 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CC.dat 3193 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CS.dat 3193 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SNa.dat 3038 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SS.dat 2108 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:25 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/inp.txt 75662 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/log.txt 4557 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/out.total.txt 1823 05-08-2015 11:25 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/par.txt 2064 05-08-2015 11:24 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/qsub.sh 2064 05-21-2015 03:52 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/qsub_xv.sh 19 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.FF.dat 13775 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.L.dat 5127894 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.M.dat 5000325 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.M2.dat 5678123 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.M_cnt.dat 7 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.Nf.dat 14128 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.b_forces.dat 14134 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.b_struct.dat 5000325 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.d2M.dat 14382 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.d2b.dat 14395 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.g.dat 15276 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.g_cnt.dat 15276 05-23-2015 10:35 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/save.rescale.dat 6228 05-23-2015 05:24 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_1stquarter/summarize_input.txt 0 05-23-2015 11:26 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_2ndquarter/ --------- ------- 15224354309 593 files ===================================================== Content of ZIP archive 09.23.14-123.zip ===================================================== Archive: 09.23.14-123.zip Length Date Time Name --------- ---------- ----- ---- 7253325140 05-08-2015 09:19 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_2ndquarter/423K_38.rerun_Coul.2ndquarter.trr 230744 05-08-2015 11:25 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_2ndquarter/423K_38.tpr 2108 05-23-2015 11:26 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_2ndquarter/L.BondStretch.total.bonds.dat 3162 05-23-2015 11:26 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 05-23-2015 11:26 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 05-23-2015 11:26 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 05-23-2015 11:26 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 11:26 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SNa.dat 3038 05-23-2015 11:26 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SS.dat 14301 05-23-2015 11:26 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_2ndquarter/S.dat 14301 05-23-2015 11:26 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09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.BondStretch.total.bonds.dat 3162 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SNa.dat 3038 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/S.dat 14301 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 2108 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3038 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 442166 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_25.o4022561 2108 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3038 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g.BondStretch.total.bonds.dat 3162 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SNa.dat 3038 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3038 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:30 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/inp.txt 75662 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/log.txt 4557 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/out.total.txt 1823 05-08-2015 11:30 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 11:26 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2064 05-21-2015 03:52 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5133145 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5681092 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.M_cnt.dat 7 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.Nf.dat 14114 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.b_forces.dat 14136 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.b_struct.dat 5000325 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.d2M.dat 14382 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.d2b.dat 14399 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.g.dat 15277 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.g_cnt.dat 15277 05-23-2015 13:13 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/save.rescale.dat 6228 05-23-2015 07:46 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_3rdquarter/summarize_input.txt 0 05-23-2015 16:12 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_4thquarter/ --------- ------- 14550278443 122 files ===================================================== Content of ZIP archive 09.23.14-124.zip ===================================================== Archive: 09.23.14-124.zip Length Date Time Name --------- ---------- ----- ---- 7543145140 05-08-2015 09:20 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_4thquarter/423K_38.rerun_Coul.4thquarter.trr 230744 05-08-2015 11:26 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_4thquarter/423K_38.tpr 2108 05-23-2015 16:12 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_4thquarter/L.BondStretch.total.bonds.dat 3162 05-23-2015 16:12 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CC.dat 3193 05-23-2015 16:12 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 05-23-2015 16:12 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CS.dat 3193 05-23-2015 16:12 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 16:12 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SNa.dat 3038 05-23-2015 16:12 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SS.dat 14301 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09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/S.dat 14301 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/S_CONST.dat 2063 05-21-2015 07:46 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 784 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/cgff-PEO_423K_38.o4025652 2108 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.BondStretch.total.bonds.dat 3162 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3038 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.BondStretch.total.bonds.dat 3162 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3038 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SS.dat 108 05-21-2015 07:47 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/inp.txt 75882 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/log.txt 2986 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/out.total.txt 1787 05-21-2015 07:47 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 07:46 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2063 05-21-2015 07:47 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 18 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.FF.dat 13050 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.L.dat 4872285 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.M.dat 4737150 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.M2.dat 5417768 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.M_cnt.dat 7 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.Nf.dat 13397 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.b_forces.dat 13416 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.d2M.dat 13658 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.d2b.dat 13678 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.g.dat 14551 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.g_cnt.dat 14551 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/save.rescale.dat 6111 05-26-2015 02:38 09.23.14/CGFF/423K_38/iter0_refCoul_preeps-refxn_fromquart/summarize_input.txt 0 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/ 2063 05-21-2015 07:46 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/average_save_states.py 18 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.FF.dat 13050 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.L.dat 4872285 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.M.dat 4737150 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.M2.dat 5417768 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.M_cnt.dat 7 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.Nf.dat 13397 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.b_forces.dat 13416 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.d2M.dat 13658 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.d2b.dat 13678 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.g.dat 14551 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.g_cnt.dat 14551 05-26-2015 02:39 09.23.14/CGFF/423K_38/save_preeps-refxn_fromquart/save.rescale.dat 0 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/ 1979 05-28-2015 07:30 09.23.14/CGFF/423K_38/save_refxn_fromquart/average_save_states.py 18 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.FF.dat 13050 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.L.dat 4872285 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.M.dat 4737150 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.M2.dat 5386895 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.M_cnt.dat 7 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.Nf.dat 13050 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.b_forces.dat 13423 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.b_struct.dat 4737150 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.d2M.dat 13050 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.d2b.dat 13678 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.g.dat 14551 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.g_cnt.dat 14551 05-28-2015 07:43 09.23.14/CGFF/423K_38/save_refxn_fromquart/save.rescale.dat 0 05-28-2015 07:30 09.23.14/CGFF/423K_50/ 0 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/ 247508 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/423K_50.tpr 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/S.dat 14322 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 326870 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/cgff-PEO_423K_50.o3667873 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/inp.txt 75684 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/log.txt 4557 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.L.dat 5134400 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.M2.dat 5672443 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.b_forces.dat 14153 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.d2b.dat 14397 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.g.dat 15365 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.g_cnt.dat 15365 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/ 247508 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/423K_50.tpr 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/S.dat 14322 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/cgff-PEO_423K_50.o3667874 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/inp.txt 75684 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/log.txt 4557 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.L.dat 5128820 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.M2.dat 5673076 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.b_forces.dat 14158 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.d2b.dat 14402 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.g.dat 15368 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.g_cnt.dat 15368 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/ 247508 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/423K_50.tpr 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/S.dat 14322 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 333185 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/cgff-PEO_423K_50.o3667875 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/inp.txt 75684 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/log.txt 4557 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.L.dat 5138358 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.M2.dat 5672819 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.b_forces.dat 14142 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.d2b.dat 14398 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.g.dat 15368 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.g_cnt.dat 15368 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/ 247508 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/423K_50.tpr 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/S.dat 14322 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 333110 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/cgff-PEO_423K_50.o3667876 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/inp.txt 75684 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/log.txt 4557 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.L.dat 5138075 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.M2.dat 5673056 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.b_forces.dat 14143 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.d2b.dat 14396 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.g.dat 15364 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.g_cnt.dat 15364 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:39 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01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/423K_50.edr 9790 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/423K_50.top 264676 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/423K_50.tpr 210116 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/423K_50.trr 38 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/cgPEO_423K_50_Emin.o3789986 41581 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/grompp.log 68220 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/mdout-423K_50.mdp 256382 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/mdrun.log 10604 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/mol_types_423K_50.itp 226 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2097 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/table.xvg 58372 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58619 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58328 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58317 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58691 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10099 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/ 7441 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/423K_50.Equil.mdp 301851 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/423K_50.confout.gro 56876 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/423K_50.edr 9790 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/423K_50.top 264676 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/423K_50.tpr 16069692 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/423K_50.trr 375 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/cgPEO_423K_50_Equil.o3790016 41721 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/grompp.log 68220 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/mdout-423K_50.mdp 35263 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/mdrun.log 10604 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/mol_types_423K_50.itp 228 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/run_gmx.sh 357096 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/state.cpt 357096 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/table.xvg 58372 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58619 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58328 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58317 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58691 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58297 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10099 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-29-2015 03:31 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/ 1330 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/#bonds.xvg.1# 94019 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/#distance.xvg.1# 7532 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 301851 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/423K_50.confout.gro 5541476 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/423K_50.edr 2044 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/423K_50.mdp 9790 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/423K_50.top 264676 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/423K_50.tpr 1575775092 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/423K_50.trr 295624 05-27-2015 07:21 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:10 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1330 05-29-2015 03:04 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/bonds.xvg 894 05-27-2015 07:21 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1894 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 375 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/cgPEO_423K_50_Prodrun.o3798097 6296 05-27-2015 07:21 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026285 46252 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3799374 46494 05-29-2015 03:31 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o4028205 94019 05-29-2015 03:04 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/distance.xvg 41724 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/grompp.log 68220 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/index.ndx 10380 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/mdout-423K_50.mdp 1813750 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/mdrun.log 10604 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/mol_types_423K_50.itp 230 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:19 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 229 05-29-2015 03:03 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 32209 05-29-2015 03:08 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_C-C.xvg 32212 05-29-2015 03:17 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_C-Na.xvg 32211 05-29-2015 03:12 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_C-S.xvg 32210 05-29-2015 03:31 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 32210 05-29-2015 03:26 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 32213 05-29-2015 03:22 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 0 05-29-2015 03:03 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_old/ 32209 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_old/rdf_C-C.xvg 32212 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_old/rdf_C-Na.xvg 32211 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_old/rdf_C-S.xvg 32210 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_old/rdf_S-Na.xvg 32213 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/rdf_old/rdf_S-S.xvg 2109 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 357096 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/state.cpt 357096 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/table.xvg 58372 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/table_C_C.xvg 58619 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/table_C_Na.xvg 58328 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/table_C_S.xvg 58317 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58691 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58297 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10099 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/ 391 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/copy_forces.sh 3162 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_CC.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_CNa.dat 3131 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_CS.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_SNa.dat 3069 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_SS.dat 2108 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_bond.dat 2108 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/f_zero.dat 1051 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/table.xvg 58372 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/table_C_C.xvg 58619 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/table_C_Na.xvg 58328 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/table_C_S.xvg 58317 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/table_Na_Na.xvg 58691 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/table_S_Na.xvg 58297 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/table_S_S.xvg 10099 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/edit/table_b0.xvg 2108 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/f_struct.Pair_Interaction.total.SS.dat 97 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/inp.txt 75904 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/log.txt 2961 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/out.total.txt 1787 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/par.txt 2064 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/qsub.sh 2058 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/qsub_xv.sh 18 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/save.FF.dat 13050 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/save.L.dat 4877415 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/save.M.dat 4737150 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/save.M2.dat 5409882 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/save.M_cnt.dat 7 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/save.b_forces.dat 13412 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/save.d2b.dat 13677 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/save.g.dat 14642 01-30-2015 16:39 09.23.14/CGFF/423K_50/iter0_fromquart/save.g_cnt.dat 14642 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/save.rescale.dat 6100 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_fromquart/summarize_input.txt 0 05-08-2015 09:00 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/ 247508 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/423K_50.tpr 2108 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/S.dat 14322 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/S_CONST.dat 2108 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.SS.dat 635798 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/cgff-PEO_423K_50.o3789947 2108 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/inp.txt 75684 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/log.txt 4557 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/out.total.txt 1823 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/par.txt 2064 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/qsub.sh 2059 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/qsub_xv.sh 19 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.FF.dat 13775 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.L.dat 5134400 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.M.dat 5000325 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.M2.dat 5672443 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.M_cnt.dat 7 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.Nf.dat 14125 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.b_forces.dat 14139 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.d2M.dat 14382 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.d2b.dat 14397 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.g.dat 15365 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.g_cnt.dat 15365 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/save.rescale.dat 6228 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_1stquarter/summarize_input.txt 0 05-08-2015 09:00 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/ 247508 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/423K_50.tpr 2108 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/S.dat 14322 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/S_CONST.dat 2108 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/cgff-PEO_423K_50.o3789948 2108 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/inp.txt 75684 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/log.txt 4557 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/out.total.txt 1823 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/par.txt 2064 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/qsub.sh 2059 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/qsub_xv.sh 19 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.FF.dat 13775 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.L.dat 5128820 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.M.dat 5000325 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.M2.dat 5673076 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.Nf.dat 14105 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.b_forces.dat 14141 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.d2M.dat 14383 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.d2b.dat 14402 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.g.dat 15368 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.g_cnt.dat 15368 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.rescale.dat 6228 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_2ndquarter/summarize_input.txt 0 05-08-2015 09:00 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/ 247508 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/423K_50.tpr 2108 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/S.dat 14322 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/S_CONST.dat 2108 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647990 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/cgff-PEO_423K_50.o3789949 2108 01-30-2015 16:41 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:41 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09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_fromquart/save.Nf.dat 13397 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_fromquart/save.b_forces.dat 13397 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_fromquart/save.b_struct.dat 4737150 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_fromquart/save.d2M.dat 13658 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_fromquart/save.d2b.dat 13676 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_fromquart/save.g.dat 14639 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_fromquart/save.g_cnt.dat 14639 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_fromquart/save.rescale.dat 6100 01-30-2015 16:40 09.23.14/CGFF/423K_50/iter0_refCoul_oldeps_scale0.8_fromquart/summarize_input.txt 0 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/ --------- ------- 9448202683 821 files ===================================================== Content of ZIP archive 09.23.14-125.zip ===================================================== Archive: 09.23.14-125.zip Length Date Time Name --------- ---------- ----- ---- 7885492392 05-08-2015 09:24 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/423K_50.rerun_Coul.1stquarter.trr 247508 05-08-2015 11:32 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/423K_50.tpr 2108 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/L.BondStretch.total.bonds.dat 3162 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CC.dat 3193 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CS.dat 3193 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.SS.dat 14322 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/S.dat 14322 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/S_CONST.dat 2108 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/b_struct.Pair_Interaction.total.SS.dat 423862 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/cgff-PEO_398K_25.o4022563 2108 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g.BondStretch.total.bonds.dat 3162 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CC.dat 3193 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.CS.dat 3193 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SS.dat 2108 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:32 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/inp.txt 75684 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/log.txt 4557 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/out.total.txt 1823 05-08-2015 11:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/par.txt 2064 05-08-2015 11:31 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/qsub.sh 2064 05-21-2015 03:53 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/qsub_xv.sh 19 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.FF.dat 13775 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.L.dat 5134400 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.M.dat 5000325 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.M2.dat 5701921 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.M_cnt.dat 7 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.Nf.dat 14125 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.b_forces.dat 14140 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.b_struct.dat 5000325 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.d2M.dat 14382 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.d2b.dat 14397 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.g.dat 15365 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.g_cnt.dat 15365 05-23-2015 18:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/save.rescale.dat 6228 05-23-2015 11:26 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_1stquarter/summarize_input.txt 0 05-23-2015 23:15 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/ 7885807484 05-08-2015 09:24 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/423K_50.rerun_Coul.2ndquarter.trr 247508 05-08-2015 11:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/423K_50.tpr 2108 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.BondStretch.total.bonds.dat 3162 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/S.dat 14322 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/S_CONST.dat 2108 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 431926 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/cgff-PEO_398K_25.o4022564 2108 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g.BondStretch.total.bonds.dat 3162 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:37 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/inp.txt 75684 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/log.txt 4557 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/out.total.txt 1823 05-08-2015 11:38 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/par.txt 2064 05-08-2015 11:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/qsub.sh 2064 05-21-2015 03:53 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/qsub_xv.sh 19 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.FF.dat 13775 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.L.dat 5128820 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.M.dat 5000325 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.M2.dat 5702486 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.M_cnt.dat 7 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.Nf.dat 14105 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.b_forces.dat 14149 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.b_struct.dat 5000325 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.d2M.dat 14383 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.d2b.dat 14402 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.g.dat 15368 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.g_cnt.dat 15368 05-23-2015 23:14 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/save.rescale.dat 6228 05-23-2015 16:00 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_2ndquarter/summarize_input.txt 0 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/ --------- ------- 15814976522 122 files ===================================================== Content of ZIP archive 09.23.14-126.zip ===================================================== Archive: 09.23.14-126.zip Length Date Time Name --------- ---------- ----- ---- 7885807484 05-08-2015 09:24 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/423K_50.rerun_Coul.3rdquarter.trr 247508 05-08-2015 11:34 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/423K_50.tpr 2108 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/L.BondStretch.total.bonds.dat 3162 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SS.dat 14322 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/S.dat 14322 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 2108 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 431926 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_25.o4022565 2108 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.BondStretch.total.bonds.dat 3162 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:38 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/inp.txt 75684 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/log.txt 4557 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/out.total.txt 1823 05-08-2015 11:38 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 11:34 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2064 05-21-2015 03:54 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5138358 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5702347 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.M_cnt.dat 7 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.Nf.dat 14142 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.b_forces.dat 14139 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.b_struct.dat 5000325 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.d2M.dat 14383 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.d2b.dat 14398 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.g.dat 15368 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.g_cnt.dat 15368 05-23-2015 23:11 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/save.rescale.dat 6228 05-23-2015 16:12 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_3rdquarter/summarize_input.txt 0 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/ 7885492392 05-08-2015 09:24 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/423K_50.rerun_Coul.4thquarter.trr 247508 05-08-2015 11:34 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/423K_50.tpr 2108 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/L.BondStretch.total.bonds.dat 3162 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CC.dat 3193 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CS.dat 3193 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SS.dat 14322 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/S.dat 14322 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/S_CONST.dat 2108 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SS.dat 432182 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/cgff-PEO_398K_25.o4022566 2108 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g.BondStretch.total.bonds.dat 3162 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CC.dat 3193 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CS.dat 3193 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SS.dat 2108 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:38 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/inp.txt 75684 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/log.txt 4557 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/out.total.txt 1823 05-08-2015 11:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/par.txt 2064 05-08-2015 11:34 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/qsub.sh 2064 05-21-2015 03:54 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/qsub_xv.sh 19 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.FF.dat 13775 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.L.dat 5138075 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.M.dat 5000325 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.M2.dat 5702375 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.M_cnt.dat 7 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.Nf.dat 14131 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.b_forces.dat 14137 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.b_struct.dat 5000325 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.d2M.dat 14382 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.d2b.dat 14396 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.g.dat 15364 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.g_cnt.dat 15364 05-24-2015 07:33 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/save.rescale.dat 6228 05-24-2015 00:25 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_4thquarter/summarize_input.txt 0 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/ 247508 05-21-2015 07:49 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/423K_50.tpr 14322 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/S.dat 14322 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/S_CONST.dat 2063 05-21-2015 07:48 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 784 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/cgff-PEO_423K_50.o4025653 2108 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_forces.BondStretch.total.bonds.dat 3162 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.BondStretch.total.bonds.dat 3162 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SS.dat 108 05-21-2015 07:49 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/inp.txt 75904 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/log.txt 2990 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/out.total.txt 1787 05-21-2015 07:49 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 07:48 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2063 05-21-2015 07:48 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 18 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.FF.dat 13050 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.L.dat 4877415 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.M.dat 4737150 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.M2.dat 5439218 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.M_cnt.dat 7 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.Nf.dat 13402 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.b_forces.dat 13407 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.d2M.dat 13658 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.d2b.dat 13677 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.g.dat 14642 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.g_cnt.dat 14642 05-26-2015 02:39 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/save.rescale.dat 6111 05-26-2015 02:40 09.23.14/CGFF/423K_50/iter0_refCoul_preeps-refxn_fromquart/summarize_input.txt 0 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/ 2063 05-21-2015 07:46 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/average_save_states.py 18 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.FF.dat 13050 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.L.dat 4877415 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.M.dat 4737150 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.M2.dat 5439218 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.M_cnt.dat 7 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.Nf.dat 13402 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.b_forces.dat 13407 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.d2M.dat 13658 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.d2b.dat 13677 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.g.dat 14642 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.g_cnt.dat 14642 05-26-2015 02:40 09.23.14/CGFF/423K_50/save_preeps-refxn_fromquart/save.rescale.dat 0 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/ 1979 05-28-2015 07:30 09.23.14/CGFF/423K_50/save_refxn_fromquart/average_save_states.py 18 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.FF.dat 13050 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.L.dat 4877415 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.M.dat 4737150 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.M2.dat 5409882 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.M_cnt.dat 7 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.Nf.dat 13050 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.b_forces.dat 13412 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.b_struct.dat 4737150 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.d2M.dat 13050 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.d2b.dat 13677 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.g.dat 14642 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.g_cnt.dat 14642 05-28-2015 07:43 09.23.14/CGFF/423K_50/save_refxn_fromquart/save.rescale.dat 0 05-28-2015 07:30 09.23.14/CGFF/423K_63/ 0 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/ 265772 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/423K_63.tpr 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/S.dat 14322 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/S_CONST.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 327062 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/cgff-PEO_423K_63.o3667877 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/inp.txt 75684 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/log.txt 4557 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/par.txt 2064 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.L.dat 5139901 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.M2.dat 5681123 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.b_forces.dat 14154 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.d2b.dat 14401 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.g.dat 15378 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.g_cnt.dat 15378 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/ 265772 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/423K_63.tpr 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/S.dat 14322 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/S_CONST.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 333648 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/cgff-PEO_423K_63.o3668078 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/inp.txt 75684 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/log.txt 4557 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/par.txt 2064 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.L.dat 5139595 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.M2.dat 5682605 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.b_forces.dat 14154 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.d2b.dat 14399 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.g.dat 15385 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.g_cnt.dat 15385 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/ 265772 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/423K_63.tpr 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/S.dat 14322 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/S_CONST.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/cgff-PEO_423K_63.o3668080 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/inp.txt 75684 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/log.txt 4557 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/par.txt 2064 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.L.dat 5134624 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.M2.dat 5682541 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.b_forces.dat 14140 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.d2b.dat 14399 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.g.dat 15383 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.g_cnt.dat 15383 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/ 265772 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/423K_63.tpr 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/S.dat 14322 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 333302 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/cgff-PEO_423K_63.o3668081 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/inp.txt 75684 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/log.txt 4557 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/par.txt 2064 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.L.dat 5138119 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.M2.dat 5681654 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.b_forces.dat 14151 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.d2b.dat 14397 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.g.dat 15383 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.g_cnt.dat 15383 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/ 265772 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/423K_63.tpr 14322 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/S.dat 14322 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/average_save_states.py 784 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgff-PEO_423K_63.o3789912 0 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/ 0 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/ 5890 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 213886 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/423K_63.1frame.gro 213885 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/423K_63.Emin.gro 2060 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/423K_63.Emin.mdp 368464 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/423K_63.edr 9788 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/423K_63.top 284452 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/423K_63.tpr 228260 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/423K_63.trr 305 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/cgPEO_423K_63_Emin.o3789988 41592 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/grompp.log 72050 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/mdout-423K_63.mdp 281663 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/mdrun.log 10602 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/mol_types_423K_63.itp 226 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2097 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/table.xvg 58374 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58615 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58333 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58319 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58692 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58297 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10101 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/ 7555 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/423K_63.Equil.mdp 327933 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/423K_63.confout.gro 56876 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/423K_63.edr 9788 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/423K_63.top 284452 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/423K_63.tpr 17457708 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/423K_63.trr 375 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/cgPEO_423K_63_Equil.o3790017 41709 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/grompp.log 72050 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/mdout-423K_63.mdp 35382 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/mdrun.log 10602 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/mol_types_423K_63.itp 228 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/run_gmx.sh 384312 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/state.cpt 384312 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/table.xvg 58374 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58615 01-30-2015 16:42 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01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 384312 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Prod_run/state.cpt 384312 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Prod_run/table.xvg 58374 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Prod_run/table_C_C.xvg 58615 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Prod_run/table_C_Na.xvg 58333 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Prod_run/table_C_S.xvg 58319 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Prod_run/table_Na_Na.xvg 58692 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Prod_run/table_S_Na.xvg 58297 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Prod_run/table_S_S.xvg 10101 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/cgsim/Prod_run/table_b0.xvg 0 01-30-2015 16:42 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09.23.14/CGFF/423K_63/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/f_zero.dat 1051 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/table.xvg 58374 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/table_C_C.xvg 58615 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/table_C_Na.xvg 58333 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/table_C_S.xvg 58319 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/table_Na_Na.xvg 58692 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/table_S_Na.xvg 58297 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/table_S_S.xvg 10101 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/edit/table_b0.xvg 2108 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:42 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09.23.14/CGFF/423K_63/iter0_fromquart/qsub.sh 2058 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/qsub_xv.sh 18 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/save.FF.dat 13050 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/save.L.dat 4881676 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/save.M.dat 4737150 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/save.M2.dat 5418996 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/save.M_cnt.dat 7 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/save.b_forces.dat 13419 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/save.d2b.dat 13677 01-30-2015 16:42 09.23.14/CGFF/423K_63/iter0_fromquart/save.g.dat 14657 01-30-2015 16:42 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09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/g.Pair_Interaction.total.SS.dat 2108 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:39 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/inp.txt 75684 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/log.txt 4557 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/out.total.txt 1823 05-08-2015 11:40 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/par.txt 2064 05-08-2015 11:39 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/qsub.sh 2064 05-21-2015 03:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/qsub_xv.sh 19 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.FF.dat 13775 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.L.dat 5139901 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.M.dat 5000325 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.M2.dat 5710972 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.M_cnt.dat 7 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.Nf.dat 14128 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.b_forces.dat 14143 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.b_struct.dat 5000325 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.d2M.dat 14383 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.d2b.dat 14401 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.g.dat 15378 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.g_cnt.dat 15378 05-24-2015 11:21 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/save.rescale.dat 6228 05-24-2015 02:24 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_1stquarter/summarize_input.txt 0 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/ --------- ------- 10325285641 160 files ===================================================== Content of ZIP archive 09.23.14-128.zip ===================================================== Archive: 09.23.14-128.zip Length Date Time Name --------- ---------- ----- ---- 8566942316 05-08-2015 09:31 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/423K_63.rerun_Coul.2ndquarter.trr 265772 05-08-2015 11:40 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/423K_63.tpr 2108 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.BondStretch.total.bonds.dat 3162 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/S.dat 14322 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/S_CONST.dat 2108 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 431926 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/cgff-PEO_398K_25.o4022568 2108 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.BondStretch.total.bonds.dat 3162 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SS.dat 2108 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:42 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/inp.txt 75684 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/log.txt 4557 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/out.total.txt 1823 05-08-2015 11:42 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/par.txt 2064 05-08-2015 11:40 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/qsub.sh 2064 05-21-2015 03:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/qsub_xv.sh 19 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.FF.dat 13775 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.L.dat 5139595 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.M.dat 5000325 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.M2.dat 5712309 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.M_cnt.dat 7 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.Nf.dat 14111 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.b_forces.dat 14150 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.b_struct.dat 5000325 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.d2M.dat 14382 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.d2b.dat 14399 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.g.dat 15385 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.g_cnt.dat 15385 05-24-2015 11:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/save.rescale.dat 6228 05-24-2015 02:47 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_2ndquarter/summarize_input.txt 0 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/ --------- ------- 8588821063 61 files ===================================================== Content of ZIP archive 09.23.14-129.zip ===================================================== Archive: 09.23.14-129.zip Length Date Time Name --------- ---------- ----- ---- 8566942316 05-08-2015 09:31 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/423K_63.rerun_Coul.3rdquarter.trr 265772 05-08-2015 11:40 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/423K_63.tpr 2108 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.BondStretch.total.bonds.dat 3162 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SS.dat 14322 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/S.dat 14322 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 2108 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 431926 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_25.o4022569 2108 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.BondStretch.total.bonds.dat 3162 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SS.dat 2108 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:42 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/inp.txt 75684 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/log.txt 4557 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/out.total.txt 1823 05-08-2015 11:42 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 11:40 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2064 05-21-2015 03:55 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5134624 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5712323 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.M_cnt.dat 7 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.Nf.dat 14113 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.b_forces.dat 14131 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.b_struct.dat 5000325 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.d2M.dat 14383 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.d2b.dat 14399 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.g.dat 15383 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.g_cnt.dat 15383 05-24-2015 12:02 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/save.rescale.dat 6228 05-24-2015 03:01 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_3rdquarter/summarize_input.txt 0 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/ --------- ------- 8588816086 61 files ===================================================== Content of ZIP archive 09.23.14-130.zip ===================================================== Archive: 09.23.14-130.zip Length Date Time Name --------- ---------- ----- ---- 8566600008 05-08-2015 09:31 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/423K_63.rerun_Coul.4thquarter.trr 265772 05-08-2015 11:40 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/423K_63.tpr 2108 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/L.BondStretch.total.bonds.dat 3162 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CC.dat 3193 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CS.dat 3193 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SS.dat 14322 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/S.dat 14322 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/S_CONST.dat 2108 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SS.dat 432438 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/cgff-PEO_398K_25.o4022570 2108 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g.BondStretch.total.bonds.dat 3162 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CC.dat 3193 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CS.dat 3193 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SS.dat 2108 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:42 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/inp.txt 75684 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/log.txt 4557 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/out.total.txt 1823 05-08-2015 11:42 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/par.txt 2064 05-08-2015 11:40 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/qsub.sh 2064 05-21-2015 03:55 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/qsub_xv.sh 19 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.FF.dat 13775 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.L.dat 5138119 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.M.dat 5000325 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.M2.dat 5711513 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.M_cnt.dat 7 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.Nf.dat 14132 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.b_forces.dat 14142 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.b_struct.dat 5000325 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.d2M.dat 14382 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.d2b.dat 14397 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.g.dat 15383 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.g_cnt.dat 15383 05-24-2015 11:54 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/save.rescale.dat 6228 05-24-2015 03:00 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_4thquarter/summarize_input.txt 0 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/ 265772 05-21-2015 07:50 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/423K_63.tpr 14322 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/S.dat 14322 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/S_CONST.dat 2063 05-21-2015 07:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 784 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/cgff-PEO_423K_63.o4025654 2108 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.BondStretch.total.bonds.dat 3162 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SS.dat 2108 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.BondStretch.total.bonds.dat 3162 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SS.dat 108 05-21-2015 07:50 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/inp.txt 75904 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/log.txt 2991 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/out.total.txt 1787 05-21-2015 07:50 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 07:48 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2063 05-21-2015 07:50 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 18 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.FF.dat 13050 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.L.dat 4881676 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.M.dat 4737150 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.M2.dat 5448757 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.M_cnt.dat 7 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.Nf.dat 13393 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.b_forces.dat 13416 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.d2M.dat 13657 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.d2b.dat 13677 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.g.dat 14657 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.g_cnt.dat 14657 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/save.rescale.dat 6111 05-26-2015 02:41 09.23.14/CGFF/423K_63/iter0_refCoul_preeps-refxn_fromquart/summarize_input.txt 0 05-26-2015 02:42 09.23.14/CGFF/423K_63/save_preeps-refxn_fromquart/ 2063 05-21-2015 07:46 09.23.14/CGFF/423K_63/save_preeps-refxn_fromquart/average_save_states.py 18 05-26-2015 02:42 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09.23.14/CGFF/423K_63/save_preeps-refxn_fromquart/save.g_cnt.dat 14657 05-26-2015 02:42 09.23.14/CGFF/423K_63/save_preeps-refxn_fromquart/save.rescale.dat 0 05-28-2015 07:42 09.23.14/CGFF/423K_63/save_refxn_fromquart/ 1979 05-28-2015 07:30 09.23.14/CGFF/423K_63/save_refxn_fromquart/average_save_states.py 18 05-28-2015 07:42 09.23.14/CGFF/423K_63/save_refxn_fromquart/save.FF.dat 13050 05-28-2015 07:42 09.23.14/CGFF/423K_63/save_refxn_fromquart/save.L.dat 4881676 05-28-2015 07:42 09.23.14/CGFF/423K_63/save_refxn_fromquart/save.M.dat 4737150 05-28-2015 07:42 09.23.14/CGFF/423K_63/save_refxn_fromquart/save.M2.dat 5418996 05-28-2015 07:42 09.23.14/CGFF/423K_63/save_refxn_fromquart/save.M_cnt.dat 7 05-28-2015 07:42 09.23.14/CGFF/423K_63/save_refxn_fromquart/save.Nf.dat 13050 05-28-2015 07:42 09.23.14/CGFF/423K_63/save_refxn_fromquart/save.b_forces.dat 13419 05-28-2015 07:42 09.23.14/CGFF/423K_63/save_refxn_fromquart/save.b_struct.dat 4737150 05-28-2015 07:42 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09.23.14/CGFF/423K_75/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 333649 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/cgff-PEO_423K_75.o3668084 2077 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:42 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09.23.14/CGFF/423K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/inp.txt 75662 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/log.txt 4557 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/par.txt 2064 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_1stquarter/save.L.dat 5137433 01-30-2015 16:42 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09.23.14/CGFF/423K_75/iter0_2ndquarter/423K_75.tpr 2077 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/S.dat 14301 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/S_CONST.dat 2077 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 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09.23.14/CGFF/423K_75/iter0_2ndquarter/par.txt 2064 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/save.L.dat 5136434 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/save.M2.dat 5677554 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/save.b_forces.dat 14149 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_2ndquarter/save.d2b.dat 14396 01-30-2015 16:42 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16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/S.dat 14301 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/S_CONST.dat 2077 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/cgff-PEO_423K_75.o3668086 2077 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/inp.txt 75662 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/log.txt 4557 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/par.txt 2064 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.L.dat 5140307 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.M2.dat 5677408 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.b_forces.dat 14148 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.d2b.dat 14401 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.g.dat 15388 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.g_cnt.dat 15388 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/ 282464 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/423K_75.tpr 2108 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/S.dat 14322 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/S_CONST.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 334070 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/cgff-PEO_423K_75.o3668087 2108 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/inp.txt 75684 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/log.txt 4557 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/par.txt 2064 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.L.dat 5139189 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.M2.dat 5678045 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.b_forces.dat 14144 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.d2b.dat 14396 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.g.dat 15386 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.g_cnt.dat 15386 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_4thquarter/summarize_input.txt 0 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/ 282464 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/423K_75.tpr 14301 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/S.dat 14301 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/S_CONST.dat 1979 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/average_save_states.py 784 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgff-PEO_423K_75.o3789913 0 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/ 0 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/ 5784 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/#mdrun.log.1# 229682 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/423K_75.1frame.gro 229680 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/423K_75.Emin.gro 2060 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/423K_75.Emin.mdp 167296 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/423K_75.edr 9791 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/423K_75.top 302548 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/423K_75.tpr 245108 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/423K_75.trr 305 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/cgPEO_423K_75_Emin.o3789990 41597 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/grompp.log 75606 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/index.ndx 10401 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/mdout-423K_75.mdp 133662 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/mdrun.log 10603 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/mol_types_423K_75.itp 226 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/qsub_cgsim_Emin.sh 2097 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/run_gmx.sh 389098 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/table.xvg 58395 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/table_C_C.xvg 58627 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/table_C_Na.xvg 58329 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/table_C_S.xvg 58317 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/table_Na_Na.xvg 58695 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/table_S_Na.xvg 58299 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/table_S_S.xvg 10091 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Emin/table_b0.xvg 0 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/ 7553 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/#mdrun.log.1# 2041 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/423K_75.Equil.mdp 352152 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/423K_75.confout.gro 56876 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/423K_75.edr 9791 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/423K_75.top 302548 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/423K_75.tpr 18746580 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/423K_75.trr 375 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/cgPEO_423K_75_Equil.o3790018 41713 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/grompp.log 75606 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/index.ndx 10384 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/mdout-423K_75.mdp 35386 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/mdrun.log 10603 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/mol_types_423K_75.itp 228 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/qsub_cgsim_Equil.sh 2111 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/run_gmx.sh 409584 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/state.cpt 409584 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/state_prev.cpt 389098 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/table.xvg 58395 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/table_C_C.xvg 58627 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/table_C_Na.xvg 58329 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/table_C_S.xvg 58317 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/table_Na_Na.xvg 58695 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/table_S_Na.xvg 58299 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/table_S_S.xvg 10091 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-27-2015 07:20 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/ 7527 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 352152 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/423K_75.confout.gro 5541476 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/423K_75.edr 2044 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/423K_75.mdp 9791 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/423K_75.top 302548 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/423K_75.tpr 1838267580 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/423K_75.trr 295647 05-27-2015 07:20 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/Rg.xvg 14784 05-27-2015 07:06 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/Rg_index.ndx 1311 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/bonds.xvg 894 05-27-2015 07:20 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/calc_Rg.sh 1894 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/calc_dist.sh 642 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_423K_75_Prodrun.o3798100 6320 05-27-2015 07:20 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_calcRg.o4026283 46362 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/cgPEO_calcdist.o3799376 94019 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/distance.xvg 41706 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/grompp.log 75606 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/index.ndx 10380 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/mdout-423K_75.mdp 1813184 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/mdrun.log 10603 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/mol_types_423K_75.itp 230 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/qsub_cgsim_NVT.sh 220 05-27-2015 07:19 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcRg.sh 224 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/qsub_xv_calcdist.sh 32298 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/rdf_C-C.xvg 32297 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/rdf_C-Na.xvg 32298 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/rdf_C-S.xvg 32299 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 32298 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 32299 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2109 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 409584 01-30-2015 16:42 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09.23.14/CGFF/423K_75/iter0_fromquart/edit/copy_forces.sh 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_SS.dat 2077 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_bond.dat 2077 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_struct.Pair_Interaction.total.SS.dat 3949 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/f_zero.dat 1051 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/run.make_gmx4_table.sh 389098 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/table.xvg 58395 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/table_C_C.xvg 58627 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/table_C_Na.xvg 58329 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/table_C_S.xvg 58317 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/table_Na_Na.xvg 58695 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/table_S_Na.xvg 58299 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/table_S_S.xvg 10091 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/edit/table_b0.xvg 2077 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/f_forces.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/f_forces.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_fromquart/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:42 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09.23.14/CGFF/423K_75/iter0_fromquart/summarize_input.txt 0 05-08-2015 09:00 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/ 282464 01-30-2015 16:42 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/423K_75.tpr 2077 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/S.dat 14301 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/S_CONST.dat 2077 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/cgff-PEO_423K_75.o3789951 2077 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:42 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09:00 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/ 282464 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/423K_75.tpr 2077 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/S.dat 14301 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/S_CONST.dat 2077 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/cgff-PEO_423K_75.o3789952 2077 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/inp.txt 75662 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/log.txt 4557 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/out.total.txt 1823 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/par.txt 2064 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/qsub.sh 2059 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/qsub_xv.sh 19 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.FF.dat 13775 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.L.dat 5136434 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.M.dat 5000325 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.M2.dat 5677554 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.Nf.dat 14118 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.b_forces.dat 14143 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.d2M.dat 14384 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.d2b.dat 14396 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.g.dat 15389 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.g_cnt.dat 15389 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/save.rescale.dat 6228 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_2ndquarter/summarize_input.txt 0 05-08-2015 09:01 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/ 282464 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/423K_75.tpr 2077 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/S.dat 14301 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/S_CONST.dat 2077 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 647894 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/cgff-PEO_423K_75.o3789953 2077 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/inp.txt 75662 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/log.txt 4557 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/out.total.txt 1823 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/par.txt 2064 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/qsub.sh 2059 01-30-2015 16:43 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/qsub_xv.sh 19 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.FF.dat 13775 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.L.dat 5140307 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.M.dat 5000325 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.M2.dat 5677408 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.Nf.dat 14116 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.b_forces.dat 14138 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.d2M.dat 14383 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.d2b.dat 14401 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.g.dat 15388 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.g_cnt.dat 15388 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/save.rescale.dat 6228 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_3rdquarter/summarize_input.txt 0 05-08-2015 09:01 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/ 282464 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/423K_75.tpr 2108 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/S.dat 14322 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/S_CONST.dat 2108 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/b_struct.Pair_Interaction.total.SS.dat 650198 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/cgff-PEO_423K_75.o3789954 2108 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 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09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/inp.txt 75684 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/log.txt 4557 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/out.total.txt 1823 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/par.txt 2064 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/qsub.sh 2059 01-30-2015 16:44 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/qsub_xv.sh 19 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.FF.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.L.dat 5139189 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.M.dat 5000325 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.M2.dat 5678045 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.M_cnt.dat 7 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.Nf.dat 14120 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.b_forces.dat 14139 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.d2M.dat 14383 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.d2b.dat 14396 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.g.dat 15386 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.g_cnt.dat 15386 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/save.rescale.dat 6228 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_4thquarter/summarize_input.txt 0 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_fromquart/ 282464 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_fromquart/423K_75.tpr 14301 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_fromquart/S.dat 14301 01-30-2015 16:45 09.23.14/CGFF/423K_75/iter0_refCoul_oldeps_scale0.8_fromquart/S_CONST.dat 2075 01-30-2015 16:45 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09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/ --------- ------- 10737452125 812 files ===================================================== Content of ZIP archive 09.23.14-131.zip ===================================================== Archive: 09.23.14-131.zip Length Date Time Name --------- ---------- ----- ---- 9199057080 05-08-2015 09:35 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/423K_75.rerun_Coul.1stquarter.trr 282464 05-08-2015 11:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/423K_75.tpr 2077 05-24-2015 18:30 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/L.BondStretch.total.bonds.dat 3162 05-24-2015 18:30 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CC.dat 3193 05-24-2015 18:30 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/L.Pair_Interaction.total.CNa.dat 3131 05-24-2015 18:30 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09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-24-2015 18:30 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/inp.txt 75662 05-24-2015 18:30 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/log.txt 4557 05-24-2015 18:30 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/out.total.txt 1823 05-08-2015 11:44 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/par.txt 2064 05-08-2015 11:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/qsub.sh 2064 05-21-2015 03:55 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/qsub_xv.sh 19 05-24-2015 18:30 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/save.FF.dat 13775 05-24-2015 18:30 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/save.L.dat 5137433 05-24-2015 18:30 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09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/save.rescale.dat 6228 05-24-2015 07:33 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_1stquarter/summarize_input.txt 0 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/ --------- ------- 9220946296 61 files ===================================================== Content of ZIP archive 09.23.14-132.zip ===================================================== Archive: 09.23.14-132.zip Length Date Time Name --------- ---------- ----- ---- 9199424660 05-08-2015 09:36 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/423K_75.rerun_Coul.2ndquarter.trr 282464 05-08-2015 11:44 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/423K_75.tpr 2077 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.BondStretch.total.bonds.dat 3162 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SS.dat 14301 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/S.dat 14301 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/S_CONST.dat 2077 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.BondStretch.total.bonds.dat 3162 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 431926 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/cgff-PEO_398K_25.o4022572 2077 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.BondStretch.total.bonds.dat 3162 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2077 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.BondStretch.total.bonds.dat 3162 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SS.dat 2077 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:46 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/inp.txt 75662 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/log.txt 4557 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/out.total.txt 1823 05-08-2015 11:46 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/par.txt 2064 05-08-2015 11:44 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/qsub.sh 2064 05-21-2015 03:55 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/qsub_xv.sh 19 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.FF.dat 13775 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.L.dat 5136434 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.M.dat 5000325 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.M2.dat 5708338 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.M_cnt.dat 7 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.Nf.dat 14118 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.b_forces.dat 14143 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.b_struct.dat 5000325 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.d2M.dat 14383 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.d2b.dat 14396 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.g.dat 15389 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.g_cnt.dat 15389 05-24-2015 22:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/save.rescale.dat 6228 05-24-2015 11:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_2ndquarter/summarize_input.txt 0 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/ --------- ------- 9221312754 61 files ===================================================== Content of ZIP archive 09.23.14-133.zip ===================================================== Archive: 09.23.14-133.zip Length Date Time Name --------- ---------- ----- ---- 9199424660 05-08-2015 09:36 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/423K_75.rerun_Coul.3rdquarter.trr 282464 05-08-2015 11:44 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/423K_75.tpr 2077 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.BondStretch.total.bonds.dat 3162 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/S.dat 14301 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 2077 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 431926 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_25.o4022573 2077 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.BondStretch.total.bonds.dat 3162 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:46 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/inp.txt 75662 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/log.txt 4557 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/out.total.txt 1823 05-08-2015 11:46 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 11:44 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2064 05-21-2015 03:56 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5140307 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5708267 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.M_cnt.dat 7 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.Nf.dat 14116 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.b_forces.dat 14148 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.b_struct.dat 5000325 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.d2M.dat 14382 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.d2b.dat 14401 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.g.dat 15388 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.g_cnt.dat 15388 05-24-2015 22:49 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/save.rescale.dat 6228 05-24-2015 11:54 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_3rdquarter/summarize_input.txt 0 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/ --------- ------- 9221316561 61 files ===================================================== Content of ZIP archive 09.23.14-134.zip ===================================================== Archive: 09.23.14-134.zip Length Date Time Name --------- ---------- ----- ---- 9199057080 05-08-2015 09:36 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/423K_75.rerun_Coul.4thquarter.trr 282464 05-08-2015 11:44 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/423K_75.tpr 2108 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/L.BondStretch.total.bonds.dat 3162 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CC.dat 3193 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CS.dat 3193 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SS.dat 14322 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/S.dat 14322 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/S_CONST.dat 2108 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SS.dat 433462 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/cgff-PEO_398K_25.o4022574 2108 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2108 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g.BondStretch.total.bonds.dat 3162 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CC.dat 3193 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CS.dat 3193 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SS.dat 2108 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:47 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/inp.txt 75684 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/log.txt 4557 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/out.total.txt 1823 05-08-2015 11:47 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/par.txt 2064 05-08-2015 11:44 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/qsub.sh 2064 05-21-2015 03:56 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/qsub_xv.sh 19 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.FF.dat 13775 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.L.dat 5139189 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.M.dat 5000325 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.M2.dat 5709024 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.M_cnt.dat 7 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.Nf.dat 14120 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.b_forces.dat 14140 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.b_struct.dat 5000325 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.d2M.dat 14382 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.d2b.dat 14396 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.g.dat 15386 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.g_cnt.dat 15386 05-24-2015 23:23 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/save.rescale.dat 6228 05-24-2015 12:27 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_4thquarter/summarize_input.txt 0 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/ 282464 05-21-2015 07:51 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/423K_75.tpr 14301 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/S.dat 14301 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/S_CONST.dat 2063 05-21-2015 07:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 784 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/cgff-PEO_423K_75.o4025655 2077 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.BondStretch.total.bonds.dat 3162 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SS.dat 2077 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.BondStretch.total.bonds.dat 3162 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SS.dat 108 05-21-2015 07:51 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/inp.txt 75882 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/log.txt 2992 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/out.total.txt 1787 05-21-2015 07:51 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 07:48 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2063 05-21-2015 07:50 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 18 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.FF.dat 13050 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.L.dat 4881650 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.M.dat 4737150 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.M2.dat 5445567 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.M_cnt.dat 7 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.Nf.dat 13400 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.b_forces.dat 13412 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.d2M.dat 13658 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.d2b.dat 13673 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.g.dat 14662 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.g_cnt.dat 14662 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/save.rescale.dat 6111 05-26-2015 02:43 09.23.14/CGFF/423K_75/iter0_refCoul_preeps-refxn_fromquart/summarize_input.txt 0 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/ 2063 05-21-2015 07:46 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/average_save_states.py 18 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.FF.dat 13050 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.L.dat 4881650 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.M.dat 4737150 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.M2.dat 5445567 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.M_cnt.dat 7 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.Nf.dat 13400 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.b_forces.dat 13412 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.d2M.dat 13658 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.d2b.dat 13673 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.g.dat 14662 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.g_cnt.dat 14662 05-26-2015 02:43 09.23.14/CGFF/423K_75/save_preeps-refxn_fromquart/save.rescale.dat 0 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/ 1979 05-28-2015 07:30 09.23.14/CGFF/423K_75/save_refxn_fromquart/average_save_states.py 18 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.FF.dat 13050 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.L.dat 4881650 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.M.dat 4737150 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.M2.dat 5414535 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.M_cnt.dat 7 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.Nf.dat 13050 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.b_forces.dat 13417 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.b_struct.dat 4737150 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.d2M.dat 13050 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.d2b.dat 13673 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.g.dat 14662 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.g_cnt.dat 14662 05-28-2015 07:42 09.23.14/CGFF/423K_75/save_refxn_fromquart/save.rescale.dat 0 05-28-2015 07:29 09.23.14/CGFF/423K_83/ 0 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/ 293972 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/423K_83.tpr 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/L.Pair_Interaction.total.CC.dat 3224 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/L.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/L.Pair_Interaction.total.SS.dat 14343 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/S.dat 14343 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/S_CONST.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.CC.dat 3224 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/b_struct.Pair_Interaction.total.SS.dat 327254 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/cgff-PEO_423K_83.o3668088 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CC.dat 3224 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g.Pair_Interaction.total.CC.dat 3224 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CC.dat 3224 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CNa.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/inp.txt 75706 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/log.txt 4557 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/out.total.txt 1732 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/par.txt 2064 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/qsub.sh 2059 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/qsub_xv.sh 19 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.FF.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.L.dat 5138882 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.M.dat 5000325 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.M2.dat 5661870 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.M_cnt.dat 7 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.Nf.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.b_forces.dat 14149 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.b_struct.dat 5000325 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.d2M.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.d2b.dat 14388 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.g.dat 15340 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.g_cnt.dat 15340 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/save.rescale.dat 5946 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_1stquarter/summarize_input.txt 0 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/ 293972 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/423K_83.tpr 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/L.BondStretch.total.bonds.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/S.dat 14322 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/S_CONST.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/b_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/cgff-PEO_423K_83.o3668190 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/f_struct.BondStretch.total.bonds.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g.BondStretch.total.bonds.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/inp.txt 75684 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/log.txt 4557 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/out.total.txt 1732 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/par.txt 2064 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/qsub.sh 2059 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/qsub_xv.sh 19 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.FF.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.L.dat 5141368 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.M.dat 5000325 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.M2.dat 5662295 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.M_cnt.dat 7 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.Nf.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.b_forces.dat 14140 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.b_struct.dat 5000325 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.d2M.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.d2b.dat 14397 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.g.dat 15342 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.g_cnt.dat 15342 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/save.rescale.dat 5946 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_2ndquarter/summarize_input.txt 0 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/ 293972 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/423K_83.tpr 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/S.dat 14301 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/S_CONST.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 332918 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/cgff-PEO_423K_83.o3668290 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/inp.txt 75662 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/log.txt 4557 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/out.total.txt 1732 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/par.txt 2064 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/qsub.sh 2059 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/qsub_xv.sh 19 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.FF.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.L.dat 5141629 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.M.dat 5000325 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.M2.dat 5662142 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.M_cnt.dat 7 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.Nf.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.b_forces.dat 14156 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.b_struct.dat 5000325 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.d2M.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.d2b.dat 14395 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.g.dat 15333 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.g_cnt.dat 15333 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/save.rescale.dat 5946 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_3rdquarter/summarize_input.txt 0 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/ 293972 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/423K_83.tpr 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/L.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/L.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/L.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/L.Pair_Interaction.total.SS.dat 14301 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/S.dat 14301 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/S_CONST.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/b_struct.Pair_Interaction.total.SS.dat 334223 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/cgff-PEO_423K_83.o3668291 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g.Pair_Interaction.total.SS.dat 2077 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/inp.txt 75662 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/log.txt 4557 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/out.total.txt 1732 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/par.txt 2064 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/qsub.sh 2059 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/qsub_xv.sh 19 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.FF.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.L.dat 5143101 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.M.dat 5000325 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.M2.dat 5662398 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.M_cnt.dat 7 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.Nf.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.b_forces.dat 14142 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.b_struct.dat 5000325 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.d2M.dat 13775 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.d2b.dat 14394 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.g.dat 15341 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.g_cnt.dat 15341 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_4thquarter/save.rescale.dat 5946 01-30-2015 16:45 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09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Equil/table_b0.xvg 0 05-29-2015 04:06 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/ 7401 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/#mdrun.log.1# 368919 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/423K_83.confout.gro 5541476 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/423K_83.edr 2044 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/423K_83.mdp 9783 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/423K_83.top 315028 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/423K_83.tpr --------- ------- 9399800890 436 files ===================================================== Content of ZIP archive 09.23.14-135.zip ===================================================== Archive: 09.23.14-135.zip Length Date Time Name --------- ---------- ----- ---- 1925765076 01-30-2015 16:45 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32362 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/rdf_C-C.xvg 32364 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/rdf_C-Na.xvg 32365 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/rdf_C-S.xvg 32366 05-29-2015 04:06 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/rdf_Na-Na.xvg 32364 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/rdf_S-Na.xvg 32367 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/rdf_S-S.xvg 2109 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/run_gmx.sh 427080 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/state.cpt 427080 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/state_prev.cpt 389098 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/table.xvg 58384 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/cgsim/Prod_run/table_C_C.xvg 58626 01-30-2015 16:45 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09.23.14/CGFF/423K_83/iter0_fromquart/save.Nf.dat 13050 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/save.b_forces.dat 13421 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/save.b_struct.dat 4737150 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/save.d2M.dat 13050 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/save.d2b.dat 13673 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/save.g.dat 14617 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/save.g_cnt.dat 14617 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/save.rescale.dat 6100 01-30-2015 16:45 09.23.14/CGFF/423K_83/iter0_fromquart/summarize_input.txt 0 05-25-2015 01:11 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_1stquarter/ --------- ------- 1950772947 99 files ===================================================== Content of ZIP archive 09.23.14-136.zip ===================================================== Archive: 09.23.14-136.zip Length Date Time Name --------- ---------- 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09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/ --------- ------- 9658791200 61 files ===================================================== Content of ZIP archive 09.23.14-137.zip ===================================================== Archive: 09.23.14-137.zip Length Date Time Name --------- ---------- ----- ---- 9637297052 05-08-2015 09:42 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/423K_83.rerun_Coul.2ndquarter.trr 293972 05-08-2015 11:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/423K_83.tpr 2077 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.BondStretch.total.bonds.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CC.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CNa.dat 3131 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.CS.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SNa.dat 3069 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/L.Pair_Interaction.total.SS.dat 14322 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/S.dat 14322 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/S_CONST.dat 2077 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.BondStretch.total.bonds.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/b_struct.Pair_Interaction.total.SS.dat 431926 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/cgff-PEO_398K_25.o4022576 2077 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.BondStretch.total.bonds.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/f_struct.Pair_Interaction.total.SS.dat 2077 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g.BondStretch.total.bonds.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CC.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CNa.dat 3131 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.CS.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SNa.dat 3069 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g.Pair_Interaction.total.SS.dat 2077 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.BondStretch.total.bonds.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:50 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/inp.txt 75684 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/log.txt 4557 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/out.total.txt 1823 05-08-2015 11:50 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/par.txt 2064 05-08-2015 11:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/qsub.sh 2064 05-21-2015 03:58 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/qsub_xv.sh 19 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.FF.dat 13775 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.L.dat 5141368 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.M.dat 5000325 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.M2.dat 5693071 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.M_cnt.dat 7 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.Nf.dat 14157 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.b_forces.dat 14139 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.b_struct.dat 5000325 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.d2M.dat 14383 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.d2b.dat 14397 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.g.dat 15342 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.g_cnt.dat 15342 05-25-2015 02:01 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/save.rescale.dat 6228 05-24-2015 13:13 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_2ndquarter/summarize_input.txt 0 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/ --------- ------- 9659186482 61 files ===================================================== Content of ZIP archive 09.23.14-138.zip ===================================================== Archive: 09.23.14-138.zip Length Date Time Name --------- ---------- ----- ---- 9637297052 05-08-2015 09:42 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/423K_83.rerun_Coul.3rdquarter.trr 293972 05-08-2015 11:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/423K_83.tpr 2077 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.BondStretch.total.bonds.dat 3162 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CC.dat 3193 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CNa.dat 3131 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.CS.dat 3193 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SNa.dat 3069 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/L.Pair_Interaction.total.SS.dat 14301 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/S.dat 14301 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/S_CONST.dat 2077 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.BondStretch.total.bonds.dat 3162 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/b_struct.Pair_Interaction.total.SS.dat 431926 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/cgff-PEO_398K_25.o4022577 2077 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.BondStretch.total.bonds.dat 3162 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/f_struct.Pair_Interaction.total.SS.dat 2077 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.BondStretch.total.bonds.dat 3162 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CC.dat 3193 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CNa.dat 3131 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.CS.dat 3193 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SNa.dat 3069 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g.Pair_Interaction.total.SS.dat 2077 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:50 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/inp.txt 75662 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/log.txt 4557 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/out.total.txt 1823 05-08-2015 11:50 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/par.txt 2064 05-08-2015 11:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/qsub.sh 2064 05-21-2015 03:58 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/qsub_xv.sh 19 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.FF.dat 13775 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.L.dat 5141629 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.M.dat 5000325 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.M2.dat 5692925 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.M_cnt.dat 7 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.Nf.dat 14120 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.b_forces.dat 14145 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.b_struct.dat 5000325 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.d2M.dat 14382 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.d2b.dat 14395 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.g.dat 15333 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.g_cnt.dat 15333 05-25-2015 01:47 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/save.rescale.dat 6228 05-24-2015 13:23 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_3rdquarter/summarize_input.txt 0 05-25-2015 04:49 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/ --------- ------- 9659186326 61 files ===================================================== Content of ZIP archive 09.23.14-139.zip ===================================================== Archive: 09.23.14-139.zip Length Date Time Name --------- ---------- ----- ---- 9636911976 05-08-2015 09:43 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/423K_83.rerun_Coul.4thquarter.trr 293972 05-08-2015 11:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/423K_83.tpr 2077 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/L.BondStretch.total.bonds.dat 3162 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CC.dat 3193 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CNa.dat 3131 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.CS.dat 3193 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SNa.dat 3069 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/L.Pair_Interaction.total.SS.dat 14301 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/S.dat 14301 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/S_CONST.dat 2077 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.BondStretch.total.bonds.dat 3162 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CC.dat 3193 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CNa.dat 3131 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.CS.dat 3193 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SNa.dat 3069 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/b_struct.Pair_Interaction.total.SS.dat 432694 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/cgff-PEO_398K_25.o4022578 2077 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.BondStretch.total.bonds.dat 3162 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CC.dat 3193 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CNa.dat 3131 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.CS.dat 3193 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SNa.dat 3069 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/f_struct.Pair_Interaction.total.SS.dat 2077 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g.BondStretch.total.bonds.dat 3162 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CC.dat 3193 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CNa.dat 3131 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.CS.dat 3193 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SNa.dat 3069 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g.Pair_Interaction.total.SS.dat 2077 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.BondStretch.total.bonds.dat 3162 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CC.dat 3193 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CNa.dat 3131 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.CS.dat 3193 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.NaNa.dat 3286 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SNa.dat 3069 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/g_cnt.Pair_Interaction.total.SS.dat 108 05-08-2015 11:51 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/inp.txt 75662 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/log.txt 4557 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/out.total.txt 1823 05-08-2015 11:51 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/par.txt 2064 05-08-2015 11:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/qsub.sh 2064 05-21-2015 03:58 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/qsub_xv.sh 19 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.FF.dat 13775 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.L.dat 5143101 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.M.dat 5000325 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.M2.dat 5693132 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.M_cnt.dat 7 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.Nf.dat 14133 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.b_forces.dat 14141 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.b_struct.dat 5000325 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.d2M.dat 14382 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.d2b.dat 14394 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.g.dat 15341 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.g_cnt.dat 15341 05-25-2015 04:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/save.rescale.dat 6228 05-24-2015 16:23 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_4thquarter/summarize_input.txt 0 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/ 293972 05-21-2015 07:51 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/423K_83.tpr 14301 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/S.dat 14301 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/S_CONST.dat 2063 05-21-2015 07:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/average_save_states.py 784 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/cgff-PEO_423K_83.o4025656 2077 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.BondStretch.total.bonds.dat 3162 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.CS.dat 3193 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SNa.dat 3069 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_forces.Pair_Interaction.total.SS.dat 2077 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.BondStretch.total.bonds.dat 3162 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CC.dat 3193 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CNa.dat 3131 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.CS.dat 3193 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.NaNa.dat 3286 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SNa.dat 3069 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/f_struct.Pair_Interaction.total.SS.dat 108 05-21-2015 07:51 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/inp.txt 75882 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/log.txt 2992 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/out.total.txt 1787 05-21-2015 07:51 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/par.txt 2064 05-21-2015 07:48 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/qsub.sh 2063 05-21-2015 07:51 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/qsub_xv.sh 18 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.FF.dat 13050 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.L.dat 4884353 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.M.dat 4737150 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.M2.dat 5430048 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.M_cnt.dat 7 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.Nf.dat 13425 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.b_forces.dat 13416 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.d2M.dat 13659 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.d2b.dat 13673 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.g.dat 14617 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.g_cnt.dat 14617 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/save.rescale.dat 6111 05-26-2015 02:44 09.23.14/CGFF/423K_83/iter0_refCoul_preeps-refxn_fromquart/summarize_input.txt 0 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/ 2063 05-21-2015 07:47 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/average_save_states.py 18 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.FF.dat 13050 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.L.dat 4884353 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.M.dat 4737150 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.M2.dat 5430048 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.M_cnt.dat 7 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.Nf.dat 13425 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.b_forces.dat 13416 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.b_struct.dat 4737150 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.d2M.dat 13659 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.d2b.dat 13673 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.g.dat 14617 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.g_cnt.dat 14617 05-26-2015 02:44 09.23.14/CGFF/423K_83/save_preeps-refxn_fromquart/save.rescale.dat 0 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/ 1979 05-28-2015 07:29 09.23.14/CGFF/423K_83/save_refxn_fromquart/average_save_states.py 18 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.FF.dat 13050 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.L.dat 4884353 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.M.dat 4737150 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.M2.dat 5399314 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.M_cnt.dat 7 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.Nf.dat 13050 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.b_forces.dat 13421 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.b_struct.dat 4737150 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.d2M.dat 13050 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.d2b.dat 13673 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.g.dat 14617 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.g_cnt.dat 14617 05-28-2015 07:30 09.23.14/CGFF/423K_83/save_refxn_fromquart/save.rescale.dat --------- ------- 9718890249 130 files