===================================================== Content of ZIP archive force_matching_production-01.zip ===================================================== Archive: force_matching_production-01.zip Length Date Time Name --------- ---------- ----- ---- 0 10-17-2016 13:56 force_matching_production/ 0 10-17-2016 13:31 force_matching_production/1hep1200/ 500093 07-08-2016 09:15 force_matching_production/1hep1200/1hep1200_CGFF_NPT_90ns.o3997428 0 07-08-2016 09:15 force_matching_production/1hep1200/50ns/ 41571 07-08-2016 09:15 force_matching_production/1hep1200/50ns/L.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/50ns/L_coeff.Pair_Interaction.total.HEPHEP.dat 16771 07-08-2016 09:15 force_matching_production/1hep1200/50ns/b_forces.Pair_Interaction.total.HEPHEP.dat 1705 07-08-2016 09:15 force_matching_production/1hep1200/50ns/b_forces_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/50ns/b_struct.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/50ns/b_struct_coeff.Pair_Interaction.total.HEPHEP.dat 16275 07-08-2016 09:15 force_matching_production/1hep1200/50ns/f_forces.Pair_Interaction.total.HEPHEP.dat 1705 07-08-2016 09:15 force_matching_production/1hep1200/50ns/f_forces_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/50ns/f_struct.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/50ns/f_struct_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/50ns/g.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/50ns/g_cnt.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/50ns/g_cnt_coeff.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/50ns/g_coeff.Pair_Interaction.total.HEPHEP.dat 19 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.FF.dat 2869 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.L.dat 223403 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.M.dat 218044 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.M2.dat 7 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.Nf.dat 2869 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.b_forces.dat 2967 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.b_struct.dat 218044 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.d2M.dat 2869 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.d2b.dat 3058 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.g.dat 3335 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.g_cnt.dat 3335 07-08-2016 09:15 force_matching_production/1hep1200/50ns/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/ 711 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/run.make_gmx4_table.sh 8756 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/smoothed_21_HEPHEP.dat 12631 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/spliced_HEPHEP.dat 0 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/table/ 117089 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/table/table_HEP_HEP.xvg 0 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/ 8208 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/1hep1200_CG_rerun.o3760821 12243 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/1hep1200_CG_rerun.o3760835 2340491 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/cg_pressures.xvg 2250477 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/cg_volumes.xvg 82834 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/cgheptane.gro 2345 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/cgheptane.mdp 598 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/cgheptane.top 59748 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/cgheptane.tpr 499 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/compare_volumes.py 609 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/error_vol_distro.dat 18272 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/index.ndx 40251732 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/md.log 10382 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/mdout.mdp 289 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/qsub_xv.sh 35641316 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/rerun.edr 117089 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/table_HEP_HEP.xvg 420 07-08-2016 09:15 force_matching_production/1hep1200/50ns/smoothed/thermo_rerun/vol_distro.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/50ns/spacing_0.02_force.dat 0 10-17-2016 13:31 force_matching_production/1hep1200/90ns_NPT_paper_production/ 41571 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/L.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/L_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/b_forces.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/b_forces_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/b_struct.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/b_struct_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/f_forces.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/f_forces_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/f_struct.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/f_struct_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/g.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/g_cnt.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/g_cnt_coeff.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/g_coeff.Pair_Interaction.total.HEPHEP.dat 23 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.FF.dat 2869 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.L.dat 223403 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.M.dat 218044 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.M2.dat 7 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.Nf.dat 2934 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.b_forces.dat 2967 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.b_struct.dat 218044 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.d2M.dat 3346 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.d2b.dat 3058 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.g.dat 3335 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.g_cnt.dat 3335 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/ 18973 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/HEPHEP_interp.dat 22245 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/HEPHEP_smoothed.dat 21328 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/HEPHEP_spliced.dat 0 06-24-2015 00:19 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/lammps_files/ 711 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/run.make_gmx4_table.sh 0 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/table/ 292550 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/table/table_HEP_HEP.xvg 0 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/ 1800 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/cgheptane.edr 82879 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/cgheptane.gro 2132 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/cgheptane.mdp 598 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/cgheptane.top 59748 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/cgheptane.tpr 86564 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/cgheptane.trr 3240 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/grompp.log 18272 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/index.ndx 10369 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/mdout-cgheptane.mdp 11949 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/mdrun.log 307 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/qsub_xv.sh 2072 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/run_gmx.sh 90720 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/state.cpt 292550 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_sim/table_HEP_HEP.xvg 0 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_smoothing/ 21328 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_smoothing/HEPHEP_spliced.dat 41013 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/test_smoothing/f_forces.Pair_Interaction.total.HEPHEP.dat 0 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/ 12085 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/1hep1200_NPT_CG_rerun.o3839849 441 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/cg_press_distro.dat 2340506 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/cg_pressures.xvg 2250493 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/cg_volumes.xvg 82834 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/cgheptane.gro 2345 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/cgheptane.mdp 598 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/cgheptane.top 59748 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/cgheptane.tpr 499 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/compare_volumes.py 630 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/error_cg_press_distro.dat 609 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/error_p_kin_distro.dat 630 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/error_p_vir_distro.dat 18272 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/index.ndx 2340492 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/kinetic_E.dat.xvg 40242187 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/md.log 10382 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/mdout.mdp 1430121 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/p_kin.dat 420 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/p_kin_distro.dat 1429965 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/p_vir.dat 441 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/p_vir_distro.dat 299 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/qsub_xv.sh 35641316 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/rerun.edr 292550 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/table_HEP_HEP.xvg 2250486 07-08-2016 09:15 force_matching_production/1hep1200/90ns_NPT_paper_production/smoothed/thermo_rerun/vol.xvg 707 07-08-2016 09:15 force_matching_production/1hep1200/CGMap.sh 41571 07-08-2016 09:15 force_matching_production/1hep1200/L.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/L_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/b_forces.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/b_forces_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/b_struct.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/b_struct_coeff.Pair_Interaction.total.HEPHEP.dat 59748 07-08-2016 09:15 force_matching_production/1hep1200/cgheptane.1200.tpr --------- ------- 173113535 141 files ===================================================== Content of ZIP archive force_matching_production-02.zip ===================================================== Archive: force_matching_production-02.zip Length Date Time Name --------- ---------- ----- ---- 7790846564 07-08-2016 09:15 force_matching_production/1hep1200/cgheptane.1200.trr --------- ------- 7790846564 1 file ===================================================== Content of ZIP archive force_matching_production-03.zip ===================================================== Archive: force_matching_production-03.zip Length Date Time Name --------- ---------- ----- ---- 82834 07-08-2016 09:15 force_matching_production/1hep1200/cgheptane.gro 2345 07-08-2016 09:15 force_matching_production/1hep1200/cgheptane.mdp 598 07-08-2016 09:15 force_matching_production/1hep1200/cgheptane.top 115479 07-08-2016 09:15 force_matching_production/1hep1200/compare_40ns_90ns.agr 111527 07-08-2016 09:15 force_matching_production/1hep1200/compare_hep_potentials.agr 27971 07-08-2016 09:15 force_matching_production/1hep1200/diff_mol.xvg 97367 07-08-2016 09:15 force_matching_production/1hep1200/energy.xvg 41571 07-08-2016 09:15 force_matching_production/1hep1200/f_forces.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/f_forces_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/f_struct.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/f_struct_coeff.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/g.Pair_Interaction.total.HEPHEP.dat 41571 07-08-2016 09:15 force_matching_production/1hep1200/g_cnt.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/g_cnt_coeff.Pair_Interaction.total.HEPHEP.dat 4185 07-08-2016 09:15 force_matching_production/1hep1200/g_coeff.Pair_Interaction.total.HEPHEP.dat 18272 07-08-2016 09:15 force_matching_production/1hep1200/index.ndx 78 07-08-2016 09:15 force_matching_production/1hep1200/inp.txt 15954 07-08-2016 09:15 force_matching_production/1hep1200/log.txt 438219 07-08-2016 09:15 force_matching_production/1hep1200/map.heptane.1200.top 1705092 07-08-2016 09:15 force_matching_production/1hep1200/md.log 10382 07-08-2016 09:15 force_matching_production/1hep1200/mdout.mdp 46542 07-08-2016 09:15 force_matching_production/1hep1200/msd.xvg 923 07-08-2016 09:15 force_matching_production/1hep1200/out.total.txt 615 07-08-2016 09:15 force_matching_production/1hep1200/par.txt 125653 07-08-2016 09:15 force_matching_production/1hep1200/pressure_spread.agr 275 07-08-2016 09:15 force_matching_production/1hep1200/qsub_ff.sh 221 07-08-2016 09:15 force_matching_production/1hep1200/qsub_rdf.sh 223 07-08-2016 09:15 force_matching_production/1hep1200/qsub_xj.sh 317 07-08-2016 09:15 force_matching_production/1hep1200/qsub_xv.sh 111 07-08-2016 09:15 force_matching_production/1hep1200/rdf.sh 149083 07-08-2016 09:15 force_matching_production/1hep1200/rdf_CC_CC.xvg 1476812 07-08-2016 09:15 force_matching_production/1hep1200/rerun.edr 729 07-08-2016 09:15 force_matching_production/1hep1200/run.make_gmx4_table.sh 23 07-08-2016 09:15 force_matching_production/1hep1200/save.FF.dat 2869 07-08-2016 09:15 force_matching_production/1hep1200/save.L.dat 223403 07-08-2016 09:15 force_matching_production/1hep1200/save.M.dat 218044 07-08-2016 09:15 force_matching_production/1hep1200/save.M2.dat 7 07-08-2016 09:15 force_matching_production/1hep1200/save.Nf.dat 2934 07-08-2016 09:15 force_matching_production/1hep1200/save.b_forces.dat 2967 07-08-2016 09:15 force_matching_production/1hep1200/save.b_struct.dat 218044 07-08-2016 09:15 force_matching_production/1hep1200/save.d2M.dat 3346 07-08-2016 09:15 force_matching_production/1hep1200/save.d2b.dat 3058 07-08-2016 09:15 force_matching_production/1hep1200/save.g.dat 3335 07-08-2016 09:15 force_matching_production/1hep1200/save.g_cnt.dat 3335 07-08-2016 09:15 force_matching_production/1hep1200/save.rescale.dat 2271 07-08-2016 09:15 force_matching_production/1hep1200/summarize_input.txt 58596 07-08-2016 09:15 force_matching_production/1hep1200/table_40ns.xvg 117089 07-08-2016 09:15 force_matching_production/1hep1200/table_HEP_HEP.xvg 93623 07-08-2016 09:15 force_matching_production/1hep1200/vol.xvg 0 10-17-2016 13:38 force_matching_production/1tol1600/ 0 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/ 41571 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/L.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/L_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/b_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/b_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/b_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/b_struct_coeff.Pair_Interaction.total.TOLTOL.dat 177142 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/cgff.cgtoluene.0_10000.o4009220 177142 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/cgff.cgtoluene.0_10000.o4011208 176834 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/cgff.cgtoluene.0_10000.o5833336 594 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/cgtoluene.top 78948 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/cgtoluene.tpr 1153755364 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/cgtoluene.trr 41571 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/f_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/f_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/f_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/f_struct_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/g.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/g_cnt.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/g_cnt_coeff.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/g_coeff.Pair_Interaction.total.TOLTOL.dat 70 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/inp.txt 15949 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/log.txt 925 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/out.total.txt 607 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/par.txt 287 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/qsub_xj.sh 23 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.FF.dat 2869 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.L.dat 223429 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.M.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.Nf.dat 2933 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.b_forces.dat 2986 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.b_struct.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.d2M.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.d2b.dat 3074 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.g.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.g_cnt.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/save.rescale.dat 2261 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/summarize_input.txt 45982 07-08-2016 09:15 force_matching_production/1tol1600/0_10000/trjconv.0_10000.log 0 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/ 41571 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/L.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/L_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/b_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/b_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/b_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/b_struct_coeff.Pair_Interaction.total.TOLTOL.dat 181238 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/cgff.cgtoluene.10000_20000.o4009439 181238 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/cgff.cgtoluene.10000_20000.o4011209 180946 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/cgff.cgtoluene.10000_20000.o5833337 594 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/cgtoluene.top 78948 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/cgtoluene.tpr 1153755364 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/cgtoluene.trr 41571 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/f_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/f_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/f_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/f_struct_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/g.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/g_cnt.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/g_cnt_coeff.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/g_coeff.Pair_Interaction.total.TOLTOL.dat 70 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/inp.txt 15949 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/log.txt 925 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/out.total.txt 607 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/par.txt 291 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/qsub_xj.sh 23 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.FF.dat 2869 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.L.dat 223421 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.M.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.Nf.dat 2933 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.b_forces.dat 2986 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.b_struct.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.d2M.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.d2b.dat 3074 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.g.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.g_cnt.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/save.rescale.dat 2261 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/summarize_input.txt 47404 07-08-2016 09:15 force_matching_production/1tol1600/10000_20000/trjconv.10000_20000.log 268914 07-08-2016 09:15 force_matching_production/1tol1600/1tol1600_CGFF_NPT_70ns.o3997429 1303899 07-08-2016 09:15 force_matching_production/1tol1600/1tol1600_CGMap.o4010801 0 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/ 41571 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/L.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/L_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/b_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/b_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/b_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/b_struct_coeff.Pair_Interaction.total.TOLTOL.dat 181238 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/cgff.cgtoluene.20000_30000.o4009695 181238 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/cgff.cgtoluene.20000_30000.o4011210 178565 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/cgff.cgtoluene.20000_30000.o5833338 594 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/cgtoluene.top 78948 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/cgtoluene.tpr 1153755364 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/cgtoluene.trr 41571 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/f_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/f_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/f_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/f_struct_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/g.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/g_cnt.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/g_cnt_coeff.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/g_coeff.Pair_Interaction.total.TOLTOL.dat 70 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/inp.txt 15949 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/log.txt 925 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/out.total.txt 607 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/par.txt 291 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/qsub_xj.sh 23 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.FF.dat 2869 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.L.dat 223419 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.M.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.Nf.dat 2932 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.b_forces.dat 2986 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.b_struct.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.d2M.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.d2b.dat 3074 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.g.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.g_cnt.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/save.rescale.dat 2261 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/summarize_input.txt 47824 07-08-2016 09:15 force_matching_production/1tol1600/20000_30000/trjconv.20000_30000.log 0 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/ 41571 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/L.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/L_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/b_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/b_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/b_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/b_struct_coeff.Pair_Interaction.total.TOLTOL.dat 181238 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/cgff.cgtoluene.30000_40000.o4009877 181238 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/cgff.cgtoluene.30000_40000.o4011211 181166 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/cgff.cgtoluene.30000_40000.o5833339 594 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/cgtoluene.top 78948 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/cgtoluene.tpr 1153755364 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/cgtoluene.trr 41571 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/f_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/f_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/f_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/f_struct_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/g.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/g_cnt.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/g_cnt_coeff.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/g_coeff.Pair_Interaction.total.TOLTOL.dat 70 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/inp.txt 15949 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/log.txt 925 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/out.total.txt 607 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/par.txt 291 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/qsub_xj.sh 23 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.FF.dat 2869 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.L.dat 223427 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.M.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.Nf.dat 2932 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.b_forces.dat 2986 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.b_struct.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.d2M.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.d2b.dat 3074 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.g.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.g_cnt.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/save.rescale.dat 2261 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/summarize_input.txt 48197 07-08-2016 09:15 force_matching_production/1tol1600/30000_40000/trjconv.30000_40000.log 0 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/ 41571 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/L.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/L_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/b_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/b_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/b_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/b_struct_coeff.Pair_Interaction.total.TOLTOL.dat 156713 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/cgff.cgtoluene.40000_50000.o4009878 178678 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/cgff.cgtoluene.40000_50000.o4011212 174655 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/cgff.cgtoluene.40000_50000.o5833340 594 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/cgtoluene.top 78948 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/cgtoluene.tpr --------- ------- 4629638975 224 files ===================================================== Content of ZIP archive force_matching_production-04.zip ===================================================== Archive: force_matching_production-04.zip Length Date Time Name --------- ---------- ----- ---- 1153870728 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/cgtoluene.trr 41571 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/f_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/f_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/f_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/f_struct_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/g.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/g_cnt.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/g_cnt_coeff.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/g_coeff.Pair_Interaction.total.TOLTOL.dat 70 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/inp.txt 15949 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/log.txt 925 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/out.total.txt 607 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/par.txt 291 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/qsub_xj.sh 23 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.FF.dat 2869 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.L.dat 223413 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.M.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.Nf.dat 2932 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.b_forces.dat 2986 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.b_struct.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.d2M.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.d2b.dat 3074 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.g.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.g_cnt.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/save.rescale.dat 2261 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/summarize_input.txt 16678 07-08-2016 09:15 force_matching_production/1tol1600/40000_50000/trjconv.40000_50000.log 0 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/ 41571 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/L.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/L_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/b_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/b_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/b_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/b_struct_coeff.Pair_Interaction.total.TOLTOL.dat 181238 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/cgff.cgtoluene.50000_60000.o4011213 177770 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/cgff.cgtoluene.50000_60000.o5833341 594 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/cgtoluene.top 78948 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/cgtoluene.tpr 1153755364 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/cgtoluene.trr 41571 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/f_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/f_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/f_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/f_struct_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/g.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/g_cnt.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/g_cnt_coeff.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/g_coeff.Pair_Interaction.total.TOLTOL.dat 70 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/inp.txt 15949 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/log.txt 925 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/out.total.txt 607 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/par.txt 291 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/qsub_xj.sh 23 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.FF.dat 2869 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.L.dat 223427 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.M.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.Nf.dat 2933 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.b_forces.dat 2986 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.b_struct.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.d2M.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.d2b.dat 3074 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.g.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.g_cnt.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/save.rescale.dat 2261 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/summarize_input.txt 8885 07-08-2016 09:15 force_matching_production/1tol1600/50000_60000/trjconv.50000_60000.log 0 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/ 8277 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/L.Pair_Interaction.total.TOLTOL.dat 8277 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/b_forces.Pair_Interaction.total.TOLTOL.dat 8277 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/b_struct.Pair_Interaction.total.TOLTOL.dat 8277 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/f_forces.Pair_Interaction.total.TOLTOL.dat 8277 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/f_struct.Pair_Interaction.total.TOLTOL.dat 8277 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/g.Pair_Interaction.total.TOLTOL.dat 8277 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/g_cnt.Pair_Interaction.total.TOLTOL.dat 23 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.FF.dat 5719 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.L.dat 884958 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.M.dat 863569 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.M2.dat 7 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.Nf.dat 5845 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.b_forces.dat 5880 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.b_struct.dat 863569 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.d2M.dat 6661 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.d2b.dat 5973 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.g.dat 6575 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.g_cnt.dat 6575 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/ 8277 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/f_forces.Pair_Interaction.total.TOLTOL.dat 711 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/run.make_gmx4_table.sh 4334 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/smoothed_7pt_TOLTOL.dat 5695 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/spliced_TOLTOL.dat 0 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/table/ 58532 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/table/table_TOL_TOL.xvg 0 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/ 8098 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/1tol1600_CG_rerun.o3760826 11310 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/1tol1600_CG_rerun.o3760836 1820885 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/cg_pressures.xvg 1750836 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/cg_volumes.xvg 110448 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/cgtoluene.gro 2345 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/cgtoluene.mdp 594 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/cgtoluene.top 78948 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/cgtoluene.tpr 24350 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/index.ndx 31309528 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/md.log 10382 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/mdout.mdp 289 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/qsub_xv.sh 27727256 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/rerun.edr --------- ------- 2375642773 108 files ===================================================== Content of ZIP archive force_matching_production-05.zip ===================================================== Archive: force_matching_production-05.zip Length Date Time Name --------- ---------- ----- ---- 8077325824 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/rerun.trr --------- ------- 8077325824 1 file ===================================================== Content of ZIP archive force_matching_production-06.zip ===================================================== Archive: force_matching_production-06.zip Length Date Time Name --------- ---------- ----- ---- 58532 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/smoothed/thermo_rerun/table_TOL_TOL.xvg 58532 07-08-2016 09:15 force_matching_production/1tol1600/50ns_large/table_TOL_TOL.xvg 0 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/ 41571 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/L.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/L_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/b_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/b_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/b_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/b_struct_coeff.Pair_Interaction.total.TOLTOL.dat 181238 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/cgff.cgtoluene.60000_70000.o4011214 179743 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/cgff.cgtoluene.60000_70000.o5833342 594 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/cgtoluene.top 78948 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/cgtoluene.tpr 1153755364 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/cgtoluene.trr 41571 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/f_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/f_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/f_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/f_struct_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/g.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/g_cnt.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/g_cnt_coeff.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/g_coeff.Pair_Interaction.total.TOLTOL.dat 70 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/inp.txt 15949 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/log.txt 925 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/out.total.txt 607 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/par.txt 291 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/qsub_xj.sh 23 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.FF.dat 2869 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.L.dat 223416 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.M.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.Nf.dat 2931 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.b_forces.dat 2986 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.b_struct.dat 218044 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.d2M.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.d2b.dat 3074 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.g.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.g_cnt.dat 3356 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/save.rescale.dat 2261 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/summarize_input.txt 41360 07-08-2016 09:15 force_matching_production/1tol1600/60000_70000/trjconv.60000_70000.log 697 07-08-2016 09:15 force_matching_production/1tol1600/CGMap.sh 78948 07-08-2016 09:15 force_matching_production/1tol1600/cgtoluene.1600.tpr --------- ------- 1155455813 43 files ===================================================== Content of ZIP archive force_matching_production-07.zip ===================================================== Archive: force_matching_production-07.zip Length Date Time Name --------- ---------- ----- ---- 8077325824 07-08-2016 09:15 force_matching_production/1tol1600/cgtoluene.1600.trr --------- ------- 8077325824 1 file ===================================================== Content of ZIP archive force_matching_production-08.zip ===================================================== Archive: force_matching_production-08.zip Length Date Time Name --------- ---------- ----- ---- 110448 07-08-2016 09:15 force_matching_production/1tol1600/cgtoluene.gro 2345 07-08-2016 09:15 force_matching_production/1tol1600/cgtoluene.mdp 594 07-08-2016 09:15 force_matching_production/1tol1600/cgtoluene.top 8284 07-08-2016 09:15 force_matching_production/1tol1600/cgtoluene.trr_info.txt 0 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/ 5542 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/avg_all_chkpts.py 41571 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/f_forces.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/f_forces_coeff.Pair_Interaction.total.TOLTOL.dat 41571 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/f_struct.Pair_Interaction.total.TOLTOL.dat 4185 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/f_struct_coeff.Pair_Interaction.total.TOLTOL.dat 81 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/inp.txt 15880 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/log.txt 697 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/out.total.txt 669 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/par.txt 15 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.FF.dat 2265 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.L.dat 177526 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.M.dat 172140 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.M2.dat 15 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.Nf.dat 2328 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.b_forces.dat 2265 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.b_struct.dat 172140 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.d2M.dat 2265 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.d2b.dat 2400 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.g.dat 2265 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.g_cnt.dat 2265 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/ 0 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/raw/ 41509 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/raw/f_forces.Pair_Interaction.total.TOLTOL.dat 719 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/run.make_gmx4_table.sh 0 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/smoothed/ 23210 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/smoothed/TOLTOL_smoothed.dat 0 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/spliced/ 32498 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/spliced/TOLTOL_spliced.dat 0 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/table/ 292168 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/table/table_TOL_TOL.xvg 0 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/test_sim/ 110477 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/test_sim/cgtoluene.gro 2184 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/test_sim/cgtoluene.mdp 594 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/test_sim/cgtoluene.top 24350 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/test_sim/index.ndx 207 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/test_sim/qsub_xj.sh 2072 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/test_sim/run_gmx.sh 292168 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/test_sim/table_TOL_TOL.xvg 0 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/ 11059 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/1tol1600_CG_rerun.o3855903 1820865 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/cg_pressures.xvg 110448 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/cgtoluene.gro 2336 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/cgtoluene.mdp 594 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/cgtoluene.top 78948 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/cgtoluene.tpr 24350 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/index.ndx 30166219 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/md.log 10373 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/mdout.mdp 295 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/qsub_xj.sh 27727256 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/rerun.edr 292168 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/smoothing/thermo_rerun/table_TOL_TOL.xvg 2442 07-08-2016 09:15 force_matching_production/1tol1600/combine_cgff_production/summarize_input.txt 45209 07-08-2016 09:15 force_matching_production/1tol1600/energy.xvg 24350 07-08-2016 09:15 force_matching_production/1tol1600/index.ndx 78 07-08-2016 09:15 force_matching_production/1tol1600/inp.txt 0 07-08-2016 09:15 force_matching_production/1tol1600/log.txt 405419 07-08-2016 09:15 force_matching_production/1tol1600/map.toluene.1600.top 574899 07-08-2016 09:15 force_matching_production/1tol1600/md.log 10382 07-08-2016 09:15 force_matching_production/1tol1600/mdout.mdp 903 07-08-2016 09:15 force_matching_production/1tol1600/out.total.txt 612 07-08-2016 09:15 force_matching_production/1tol1600/par.txt 143482 07-08-2016 09:15 force_matching_production/1tol1600/projected_pressure.agr 221 07-08-2016 09:15 force_matching_production/1tol1600/qsub_rdf.sh 309 07-08-2016 09:15 force_matching_production/1tol1600/qsub_xv.sh 111 07-08-2016 09:15 force_matching_production/1tol1600/rdf.sh 36134 07-08-2016 09:15 force_matching_production/1tol1600/rdf_CC_CC.xvg 682832 07-08-2016 09:15 force_matching_production/1tol1600/rerun.edr 729 07-08-2016 09:15 force_matching_production/1tol1600/run.make_gmx4_table.sh 2294 07-08-2016 09:15 force_matching_production/1tol1600/setup.log 4343 07-08-2016 09:15 force_matching_production/1tol1600/split_cgff_calc.sh 2271 07-08-2016 09:15 force_matching_production/1tol1600/summarize_input.txt 110477 07-08-2016 09:15 force_matching_production/1tol1600/test.gro 0 10-17-2016 13:37 force_matching_production/2hep1200/ 0 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/10000_15000.cgheptane.top 7130 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/L.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/L.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/L_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/b_forces.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/b_forces.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/b_struct.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/b_struct.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 996722 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/cgff.cgheptane.10000_15000.o5786886 117492 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/cgheptane.trr 7131 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/f_forces.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/f_forces.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7173 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/f_struct.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/f_struct.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/g.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/g.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/g_cnt.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/inp.txt 45991 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.L.dat 1967220 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.Nf.dat 8711 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.b_forces.dat 8854 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.d2M.dat 9552 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.d2b.dat 8970 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/10000_15000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/15000_20000.cgheptane.top 7037 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/L_coeff.Pair_Interaction.total.CTCT.dat 7037 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7037 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 997391 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/cgff.cgheptane.15000_20000.o5786887 117492 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/cgheptane.trr 7037 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7101 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7037 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/g.Pair_Interaction.total.CTCT.dat 7037 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/inp.txt 45903 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.L.dat 1967018 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.Nf.dat 8705 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.b_forces.dat 8863 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.d2M.dat 9552 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.d2b.dat 8962 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/15000_20000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/20000_25000.cgheptane.top 7130 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/L_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 169078 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/cgff.cgheptane.20000_25000.o4010807 167089 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/cgff.cgheptane.20000_25000.o5786888 167065 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/cgff.cgheptane.20000_25000.o5811858 167057 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/cgff.cgheptane.20000_25000.o5844883 117492 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/cgheptane.trr 7130 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7217 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/g.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/inp.txt 45969 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/par.txt 267 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.L.dat 1967292 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.Nf.dat 8710 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.b_forces.dat 8859 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.d2M.dat 9552 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.d2b.dat 8967 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/20000_25000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/25000_30000.cgheptane.top 7223 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/L.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/L.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/L_coeff.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/b_forces.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/b_forces.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/b_struct.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/b_struct.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 998482 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/cgff.cgheptane.25000_30000.o5786889 117492 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/cgheptane.trr 7223 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/f_forces.BondStretch.total.Bond_CT-CT.dat 41589 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/f_forces.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7258 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/f_struct.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/f_struct.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/g.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/g.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/g_cnt.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/inp.txt 45989 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/log.txt 1046 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/out.total.txt 939 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.L.dat 1967440 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.Nf.dat 8713 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.b_forces.dat 8853 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.d2M.dat 9554 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.d2b.dat 8970 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/save.rescale.dat 2878 07-08-2016 09:15 force_matching_production/2hep1200/25000_30000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/30000_35000.cgheptane.top 7037 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/L_coeff.Pair_Interaction.total.CTCT.dat 7037 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7037 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 167161 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/cgff.cgheptane.30000_35000.o5786890 996087 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/cgff.cgheptane.30000_35000.o5812324 117492 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/cgheptane.trr 7037 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7048 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7037 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/g.Pair_Interaction.total.CTCT.dat 7037 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/inp.txt 45835 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/log.txt 1046 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/out.total.txt 939 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.L.dat 1966995 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.Nf.dat 8706 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.b_forces.dat 8860 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.d2M.dat 9552 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.d2b.dat 8965 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/save.rescale.dat 2878 07-08-2016 09:15 force_matching_production/2hep1200/30000_35000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/35000_40000.cgheptane.top 7161 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/L_coeff.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 169078 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/cgff.cgheptane.35000_40000.o4010812 166112 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/cgff.cgheptane.35000_40000.o5786891 166751 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/cgff.cgheptane.35000_40000.o5810041 167593 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/cgff.cgheptane.35000_40000.o5834352 117492 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/cgheptane.trr 7161 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7213 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/g.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/inp.txt 45991 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/par.txt 267 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.L.dat 1967234 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.Nf.dat 8707 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.b_forces.dat 8851 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.d2M.dat 9553 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.d2b.dat 8973 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/35000_40000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/40000_45000.cgheptane.top 7192 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/L_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 1000553 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/cgff.cgheptane.40000_45000.o5786892 117492 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/cgheptane.1200.tpr --------- ------- 5299371970 363 files ===================================================== Content of ZIP archive force_matching_production-09.zip ===================================================== Archive: force_matching_production-09.zip Length Date Time Name --------- ---------- ----- ---- 864992964 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/cgheptane.trr 7192 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7212 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/g.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/inp.txt 45945 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/log.txt 1046 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/out.total.txt 939 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.L.dat 1967265 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.Nf.dat 8708 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.b_forces.dat 8859 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.d2M.dat 9551 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.d2b.dat 8970 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.g.dat 9221 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.g_cnt.dat 9221 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/save.rescale.dat 2878 07-08-2016 09:15 force_matching_production/2hep1200/40000_45000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/45000_50000.cgheptane.top 7223 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/L_coeff.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 163644 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/cgff.cgheptane.45000_50000.o5786893 169078 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/cgff.cgheptane.45000_50000.o5810040 117492 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/cgheptane.trr 7223 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7271 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/g.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/inp.txt 46035 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/par.txt 267 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.L.dat 1967388 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.Nf.dat 8703 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.b_forces.dat 8859 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.d2M.dat 9553 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.d2b.dat 8966 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/45000_50000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/50000_55000.cgheptane.top 7099 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/L_coeff.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 994325 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/cgff.cgheptane.50000_55000.o5786894 117492 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/cgheptane.trr 7099 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7172 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/g.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/inp.txt 45947 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.L.dat 1967147 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.Nf.dat 8706 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.b_forces.dat 8856 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.d2M.dat 9555 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.d2b.dat 8969 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/50000_55000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/ 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/ 58902 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/2hep1200_ff_1.o4747498 163062 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/2hep1200_ff_1.o4768598 7068 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/L.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/L.Pair_Interaction.total.CTCT.dat 7068 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/b_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/b_forces.Pair_Interaction.total.CTCT.dat 7068 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/b_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/b_struct.Pair_Interaction.total.CTCT.dat 968771364 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/cgheptane.1200.trr 7068 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/f_forces.Pair_Interaction.total.CTCT.dat 7117 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/f_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/f_struct.Pair_Interaction.total.CTCT.dat 7068 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/g.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/g.Pair_Interaction.total.CTCT.dat 7068 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/g_cnt.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/g_cnt.Pair_Interaction.total.CTCT.dat 78 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/inp.txt 61284 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/out.total.txt 841 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/par.txt 237 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.FF.dat 11438 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.L.dat 3502003 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.M.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.Nf.dat 11616 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.b_forces.dat 11746 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.b_struct.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.d2M.dat 13001 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.d2b.dat 11857 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.g.dat 12472 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.g_cnt.dat 12472 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/save.rescale.dat 2533 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/1/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/ 165311 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/2hep1200_ff_10.o4747610 166902 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/2hep1200_ff_10.o4768599 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/L.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/L.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/b_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/b_forces.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/b_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/b_struct.Pair_Interaction.total.CTCT.dat 986932584 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/cgheptane.1200.trr 7131 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/f_forces.Pair_Interaction.total.CTCT.dat 9235 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/f_struct.BondStretch.total.Bond_CT-CT.dat 10694 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/f_struct.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/g.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/g.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/g_cnt.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/g_cnt.Pair_Interaction.total.CTCT.dat 78 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/inp.txt 61306 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/log.txt 1562 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/out.total.txt 841 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/par.txt 238 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.FF.dat 11438 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.L.dat 3502170 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.M.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.Nf.dat 11614 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.b_forces.dat 11748 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.b_struct.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.d2M.dat 13000 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.d2b.dat 11855 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.g.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.g_cnt.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/save.rescale.dat 2533 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/10/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/ 160495 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/2hep1200_ff_2.o4747500 163126 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/2hep1200_ff_2.o4768601 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/L.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/L.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/b_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/b_forces.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/b_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/b_struct.Pair_Interaction.total.CTCT.dat --------- ------- 4593353412 202 files ===================================================== Content of ZIP archive force_matching_production-10.zip ===================================================== Archive: force_matching_production-10.zip Length Date Time Name --------- ---------- ----- ---- 968598400 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/cgheptane.1200.trr 7189 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/f_forces.Pair_Interaction.total.CTCT.dat 9355 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/f_struct.BondStretch.total.Bond_CT-CT.dat 10713 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/f_struct.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/g.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/g.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/g_cnt.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/g_cnt.Pair_Interaction.total.CTCT.dat 78 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/inp.txt 61350 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/log.txt 1535 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/out.total.txt 841 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/par.txt 237 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.FF.dat 11438 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.L.dat 3502335 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.M.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.Nf.dat 11624 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.b_forces.dat 11748 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.b_struct.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.d2M.dat 12999 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.d2b.dat 11852 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.g.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.g_cnt.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/save.rescale.dat 2533 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/2/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/ 166902 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/2hep1200_ff_3.o4768603 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/L.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/L.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/b_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/b_forces.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/b_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/b_struct.Pair_Interaction.total.CTCT.dat 968598400 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/cgheptane.1200.trr 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/f_forces.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/f_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/f_struct.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/g.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/g.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/g_cnt.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/g_cnt.Pair_Interaction.total.CTCT.dat 78 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/inp.txt 61306 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/out.total.txt 841 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/par.txt 237 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.FF.dat 11438 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.L.dat 3502148 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.M.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.Nf.dat 11621 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.b_forces.dat 11751 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.b_struct.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.d2M.dat 13001 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.d2b.dat 11850 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.g.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.g_cnt.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/save.rescale.dat 2533 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/3/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/ 165566 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/2hep1200_ff_4.o4747502 166902 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/2hep1200_ff_4.o4768604 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/L.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/L.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/b_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/b_forces.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/b_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/b_struct.Pair_Interaction.total.CTCT.dat 968598400 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/cgheptane.1200.trr 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/f_forces.Pair_Interaction.total.CTCT.dat 7208 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/f_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/f_struct.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/g.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/g.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/g_cnt.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/g_cnt.Pair_Interaction.total.CTCT.dat 78 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/inp.txt 61350 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/out.total.txt 841 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/par.txt 237 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.FF.dat 11438 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.L.dat 3502345 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.M.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.Nf.dat 11621 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.b_forces.dat 11751 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.b_struct.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.d2M.dat 13002 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.d2b.dat 11854 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.g.dat 12472 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.g_cnt.dat 12472 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/save.rescale.dat 2533 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/4/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/ 165429 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/2hep1200_ff_5.o4747606 166902 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/2hep1200_ff_5.o4768605 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/L.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/L.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/b_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/b_forces.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/b_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/b_struct.Pair_Interaction.total.CTCT.dat 968598400 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/cgheptane.1200.trr 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/f_forces.Pair_Interaction.total.CTCT.dat 7199 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/f_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/f_struct.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/g.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/g.Pair_Interaction.total.CTCT.dat 7161 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/g_cnt.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/g_cnt.Pair_Interaction.total.CTCT.dat 78 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/inp.txt 61350 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/out.total.txt 841 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/par.txt 237 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.FF.dat 11438 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.L.dat 3502426 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.M.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.Nf.dat 11622 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.b_forces.dat 11749 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.b_struct.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.d2M.dat 13002 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.d2b.dat 11858 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.g.dat 12472 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.g_cnt.dat 12472 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/save.rescale.dat 2533 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/5/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/ 166902 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/2hep1200_ff_6.o4747605 166902 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/2hep1200_ff_6.o4768606 7223 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/L.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/L.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/b_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/b_forces.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/b_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/b_struct.Pair_Interaction.total.CTCT.dat 968598400 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/cgheptane.1200.trr 7313 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/f_forces.Pair_Interaction.total.CTCT.dat 9911 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/f_struct.BondStretch.total.Bond_CT-CT.dat 11017 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/f_struct.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/g.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/g.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/g_cnt.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/g_cnt.Pair_Interaction.total.CTCT.dat 78 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/inp.txt 61394 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/log.txt 1528 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/out.total.txt 841 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/par.txt 237 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.FF.dat 11438 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.L.dat 3502500 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.M.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.Nf.dat 11619 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.b_forces.dat 11750 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.b_struct.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.d2M.dat 13002 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.d2b.dat 11856 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.g.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.g_cnt.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/save.rescale.dat 2533 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/6/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/ 165650 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/2hep1200_ff_7.o4747607 167679 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/2hep1200_ff_7.o4768607 7254 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/L.BondStretch.total.Bond_CT-CT.dat 8277 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/L.Pair_Interaction.total.CTCT.dat 7254 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/b_forces.BondStretch.total.Bond_CT-CT.dat 8277 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/b_forces.Pair_Interaction.total.CTCT.dat 7254 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/b_struct.BondStretch.total.Bond_CT-CT.dat 8277 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/b_struct.Pair_Interaction.total.CTCT.dat --------- ------- 4897794048 179 files ===================================================== Content of ZIP archive force_matching_production-11.zip ===================================================== Archive: force_matching_production-11.zip Length Date Time Name --------- ---------- ----- ---- 968598400 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/cgheptane.1200.trr 7287 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/f_forces.BondStretch.total.Bond_CT-CT.dat 8277 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/f_forces.Pair_Interaction.total.CTCT.dat 9759 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/f_struct.BondStretch.total.Bond_CT-CT.dat 10796 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/f_struct.Pair_Interaction.total.CTCT.dat 7254 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/g.BondStretch.total.Bond_CT-CT.dat 8277 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/g.Pair_Interaction.total.CTCT.dat 7254 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/g_cnt.BondStretch.total.Bond_CT-CT.dat 8277 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/g_cnt.Pair_Interaction.total.CTCT.dat 78 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/inp.txt 61438 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/log.txt 1542 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/out.total.txt 841 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/par.txt 237 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.FF.dat 11438 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.L.dat 3502954 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.M.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.Nf.dat 11620 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.b_forces.dat 11744 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.b_struct.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.d2M.dat 13002 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.d2b.dat 11858 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.g.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.g_cnt.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/save.rescale.dat 2533 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/7/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/ 161402 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/2hep1200_ff_8.o4747692 167679 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/2hep1200_ff_8.o4768608 7130 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/L.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/L.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/b_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/b_forces.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/b_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/b_struct.Pair_Interaction.total.CTCT.dat 968598400 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/cgheptane.1200.trr 7158 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/f_forces.Pair_Interaction.total.CTCT.dat 9475 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/f_struct.BondStretch.total.Bond_CT-CT.dat 10764 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/f_struct.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/g.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/g.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/g_cnt.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/g_cnt.Pair_Interaction.total.CTCT.dat 78 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/inp.txt 61328 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/log.txt 1549 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/out.total.txt 841 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/par.txt 237 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.FF.dat 11438 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.L.dat 3502418 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.M.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.Nf.dat 11624 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.b_forces.dat 11744 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.b_struct.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.d2M.dat 13001 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.d2b.dat 11856 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.g.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.g_cnt.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/save.rescale.dat 2533 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/8/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/ 165610 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/2hep1200_ff_9.o4747609 167372 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/2hep1200_ff_9.o4768609 7316 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/L.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/L.Pair_Interaction.total.CTCT.dat 7316 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/b_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/b_forces.Pair_Interaction.total.CTCT.dat 7316 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/b_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/b_struct.Pair_Interaction.total.CTCT.dat 968598400 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/cgheptane.1200.trr 7350 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/f_forces.Pair_Interaction.total.CTCT.dat 9732 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/f_struct.BondStretch.total.Bond_CT-CT.dat 10672 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/f_struct.Pair_Interaction.total.CTCT.dat 7316 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/g.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/g.Pair_Interaction.total.CTCT.dat 7316 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/g_cnt.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/g_cnt.Pair_Interaction.total.CTCT.dat 78 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/inp.txt 61460 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/log.txt 1500 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/out.total.txt 841 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/par.txt 237 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.FF.dat 11438 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.L.dat 3503060 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.M.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.Nf.dat 11634 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.b_forces.dat 11751 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.b_struct.dat 3448557 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.d2M.dat 13001 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.d2b.dat 11855 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.g.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.g_cnt.dat 12471 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/save.rescale.dat 2533 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/9/summarize_input.txt --------- ------- 2938404355 99 files ===================================================== Content of ZIP archive force_matching_production-12.zip ===================================================== Archive: force_matching_production-12.zip Length Date Time Name --------- ---------- ----- ---- 9704491148 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/cgheptane.1200.trr --------- ------- 9704491148 1 file ===================================================== Content of ZIP archive force_matching_production-13.zip ===================================================== Archive: force_matching_production-13.zip Length Date Time Name --------- ---------- ----- ---- 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/ 2722545 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/M2.dat 4857 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/avg_all_chkpts.py 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/bkp/ 7502 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/bkp/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/bkp/f_forces.Pair_Interaction.total.CTCT.dat 7502 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/bkp/f_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/bkp/f_struct.Pair_Interaction.total.CTCT.dat 117492 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/cgheptane.1200.tpr 4650 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/f_forces.Pair_Interaction.total.CTCT.dat 7502 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/f_struct.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/f_struct.Pair_Interaction.total.CTCT.dat 81 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/inp.txt 61519 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/log.txt 1046 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/out.total.txt 893 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/par.txt 204 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/qsub_xf.sh 184 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/qsub_xv.sh 743 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/run.make_gmx4_table.sh 15 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.FF.dat 9030 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.L.dat 2778304 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.M.dat 2722545 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.M2.dat 15 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.Nf.dat 9217 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.b_forces.dat 9224 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.b_struct.dat 2722545 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.d2M.dat 9030 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.d2b.dat 9464 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.g.dat 9030 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.g_cnt.dat 9030 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/ 2389 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/bond_CTCT_smoothed.dat 117484 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/cgheptane.1200.tpr 4650 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/f_forces.BondStretch.total.Bond_CT-CT.dat 8246 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/f_forces.Pair_Interaction.total.CTCT.dat 4351 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/nb_CTCT_7smoothed.dat 726 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/run.make_gmx4_table.sh 3221 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/spliced_bond_CTCT.dat 5379 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/spliced_nb_CTCT.dat 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/table_files/ 58493 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/table_files/table_HEP_HEP.xvg 66230 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/table_files/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/ 5910 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/2hep1200_CG_rerun.o3760823 7958 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/2hep1200_CG_rerun.o3760830 10911 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/2hep1200_CG_rerun.o3760834 12258 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/2hep1200_CG_rerun.o3761001 2340480 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/cg_pressure.xvg 2340480 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/cg_pressures.xvg 2250491 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/cg_volumes.xvg 165648 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/cgheptane.gro 2342 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/cgheptane.mdp 799 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/cgheptane.top 117484 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/cgheptane.tpr 2340497 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/energy.xvg 48680 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/index.ndx 42984435 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/md.log 10379 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/mdout.mdp 292 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/qsub_xv.sh 36361352 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/rerun.edr --------- ------- 100528718 62 files ===================================================== Content of ZIP archive force_matching_production-14.zip ===================================================== Archive: force_matching_production-14.zip Length Date Time Name --------- ---------- ----- ---- 15566932964 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/rerun.trr --------- ------- 15566932964 1 file ===================================================== Content of ZIP archive force_matching_production-15.zip ===================================================== Archive: force_matching_production-15.zip Length Date Time Name --------- ---------- ----- ---- 58493 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/table_CT_CT.xvg 66230 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/smoothed/thermo_rerun/table_b0.xvg 2698 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/summarize_input.txt 58497 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/table_HEP_HEP.xvg 66230 07-08-2016 09:15 force_matching_production/2hep1200/50ns_large/combine_fm/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/55000_60000.cgheptane.top 7130 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/L_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 1000742 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/cgff.cgheptane.55000_60000.o5786895 117492 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/cgheptane.trr 7130 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7178 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/g.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/inp.txt 45969 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/par.txt 265 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.L.dat 1967195 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.Nf.dat 8702 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.b_forces.dat 8857 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.d2M.dat 9552 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.d2b.dat 8966 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/55000_60000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/60000_65000.cgheptane.top 7130 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/L_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 1000860 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/cgff.cgheptane.60000_65000.o5786896 117492 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/cgheptane.trr 7159 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 9267 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/f_struct.BondStretch.total.Bond_CT-CT.dat 53557 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/f_struct.Pair_Interaction.total.CTCT.dat 5162 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/g.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/inp.txt 45969 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/log.txt 1531 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/par.txt 265 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.L.dat 1967173 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.Nf.dat 8702 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.b_forces.dat 8850 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.d2M.dat 9553 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.d2b.dat 8973 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/60000_65000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/65000_70000.cgheptane.top 7192 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/L_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 166937 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/cgff.cgheptane.65000_70000.o5786897 165238 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/cgff.cgheptane.65000_70000.o5810420 169078 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/cgff.cgheptane.65000_70000.o5837297 117492 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/cgheptane.trr 7192 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7217 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/g.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/inp.txt 46013 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.L.dat 1967248 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.Nf.dat 8706 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.b_forces.dat 8854 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.d2M.dat 9555 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.d2b.dat 8970 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/65000_70000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/70000_75000.cgheptane.top 7316 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/L_coeff.Pair_Interaction.total.CTCT.dat 7316 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7316 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 998839 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/cgff.cgheptane.70000_75000.o5786898 117492 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/cgheptane.trr 7316 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7346 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7316 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/g.Pair_Interaction.total.CTCT.dat 7316 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/inp.txt 46033 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/log.txt 1046 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/out.total.txt 939 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/par.txt 265 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.L.dat 1967583 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.Nf.dat 8705 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.b_forces.dat 8854 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.d2M.dat 9552 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.d2b.dat 8973 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.g.dat 9221 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.g_cnt.dat 9221 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/save.rescale.dat 2878 07-08-2016 09:15 force_matching_production/2hep1200/70000_75000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/75000_80000.cgheptane.top 7099 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/L.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/L.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/L_coeff.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/b_forces.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/b_forces.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/b_struct.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/b_struct.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 164117 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/cgff.cgheptane.75000_80000.o5786899 160097 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/cgff.cgheptane.75000_80000.o5811158 169078 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/cgff.cgheptane.75000_80000.o5843532 117492 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/cgheptane.trr 7099 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/f_forces.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/f_forces.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7125 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/f_struct.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/f_struct.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/g.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/g.Pair_Interaction.total.CTCT.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/g_cnt.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/inp.txt 45969 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.L.dat 1967138 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.Nf.dat 8708 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.b_forces.dat 8856 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.d2M.dat 9553 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.d2b.dat 8969 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.g.dat 9221 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.g_cnt.dat 9221 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/75000_80000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/80000_85000.cgheptane.top 7192 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/L_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 164861 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/cgff.cgheptane.80000_85000.o5786900 167033 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/cgff.cgheptane.80000_85000.o5820554 169078 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/cgff.cgheptane.80000_85000.o5853641 117492 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/cgheptane.trr 7192 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7240 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/g.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/inp.txt 46013 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.L.dat 1967282 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.Nf.dat 8707 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.b_forces.dat 8857 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.d2M.dat 9551 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.d2b.dat 8969 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/80000_85000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/ 799 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/85000_90000.cgheptane.top 7192 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/L_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 997555 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/cgff.cgheptane.85000_90000.o5786901 117492 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/cgheptane.1200.tpr --------- ------- 5234749195 288 files ===================================================== Content of ZIP archive force_matching_production-16.zip ===================================================== Archive: force_matching_production-16.zip Length Date Time Name --------- ---------- ----- ---- 864992964 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/cgheptane.trr 7192 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7217 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/g.Pair_Interaction.total.CTCT.dat 7192 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/inp.txt 46013 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.L.dat 1967361 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.Nf.dat 8708 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.b_forces.dat 8856 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.d2M.dat 9552 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.d2b.dat 8970 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/85000_90000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/ 7130 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/L.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/L.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/L_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/b_forces.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/b_forces.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/b_struct.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/b_struct.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 1000819 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/cgff.cgheptane.90000_95000.o5786902 117492 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/cgheptane.trr 7130 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/f_forces.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/f_forces.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7153 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/f_struct.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/f_struct.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/g.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/g.Pair_Interaction.total.CTCT.dat 7130 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41571 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/g_cnt.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4185 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/inp.txt 45991 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/log.txt 1502 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/out.total.txt 884 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.L.dat 1967304 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.Nf.dat 8706 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.b_forces.dat 8860 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.d2M.dat 9553 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.d2b.dat 8968 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.g.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.g_cnt.dat 9220 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/save.rescale.dat 2713 07-08-2016 09:15 force_matching_production/2hep1200/90000_95000/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/ 7223 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/L.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/L.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/L_coeff.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/b_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/b_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/b_forces_coeff.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/b_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/b_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/b_struct_coeff.Pair_Interaction.total.CTCT.dat 992372 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/cgff.cgheptane.95000_100000.o5786903 117492 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/cgheptane.1200.tpr 864992964 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/cgheptane.trr 7223 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7244 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/f_struct_coeff.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/g.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/g.Pair_Interaction.total.CTCT.dat 7223 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/g_cnt.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/g_cnt.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/g_coeff.Pair_Interaction.total.CTCT.dat 70 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/inp.txt 45967 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/log.txt 1046 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/out.total.txt 939 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/par.txt 266 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/qsub_xj.sh 24 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.FF.dat 8588 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.L.dat 1967473 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.M.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.M2.dat 6 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.Nf.dat 8708 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.b_forces.dat 8860 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.b_struct.dat 1945182 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.d2M.dat 9553 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.d2b.dat 8967 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.g.dat 9219 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.g_cnt.dat 9219 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/save.rescale.dat 2878 07-08-2016 09:15 force_matching_production/2hep1200/95000_100000/summarize_input.txt 715 07-08-2016 09:15 force_matching_production/2hep1200/CGMap.sh 117492 07-08-2016 09:15 force_matching_production/2hep1200/cgheptane.1200.tpr --------- ------- 2616191142 119 files ===================================================== Content of ZIP archive force_matching_production-17.zip ===================================================== Archive: force_matching_production-17.zip Length Date Time Name --------- ---------- ----- ---- 15566932964 07-08-2016 09:15 force_matching_production/2hep1200/cgheptane.1200.trr --------- ------- 15566932964 1 file ===================================================== Content of ZIP archive force_matching_production-18.zip ===================================================== Archive: force_matching_production-18.zip Length Date Time Name --------- ---------- ----- ---- 165648 07-08-2016 09:15 force_matching_production/2hep1200/cgheptane.gro 2345 07-08-2016 09:15 force_matching_production/2hep1200/cgheptane.mdp 799 07-08-2016 09:15 force_matching_production/2hep1200/cgheptane.top 9115 07-08-2016 09:15 force_matching_production/2hep1200/cgheptane.trr_info.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/ 5741 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/avg_all_chkpts.py 7564 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/f_forces.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/f_forces.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/f_forces_coeff.Pair_Interaction.total.CTCT.dat 7578 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/f_struct.BondStretch.total.Bond_CT-CT.dat 41261 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/f_struct.Pair_Interaction.total.CTCT.dat 4154 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/f_struct_coeff.Pair_Interaction.total.CTCT.dat 81 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/inp.txt 46209 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/log.txt 1046 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/out.total.txt 898 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/par.txt 15 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.FF.dat 6780 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.L.dat 1558938 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.M.dat 1535670 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.M2.dat 15 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.Nf.dat 6903 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.b_forces.dat 6842 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.b_struct.dat 1535670 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.d2M.dat 6780 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.d2b.dat 7099 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.g.dat 6780 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.g_cnt.dat 6780 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/ 0 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/raw/ 6014 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/raw/f_forces.BondStretch.total.Bond_CT-CT.dat 41044 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/raw/f_forces.Pair_Interaction.total.CTCT.dat 708 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/run.make_gmx4_table.sh 0 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/smoothed/ 23569 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/smoothed/CTCT_smoothed.dat 3103 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/smoothed/bond_smoothed.dat 0 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/spliced/ 28640 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/spliced/CTCT_spliced.dat 3818 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/spliced/bond_spliced.dat 0 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/table/ 292417 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/table/table_CT_CT.xvg 66230 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/table/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/ 2412 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/cgheptane.edr 165679 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/cgheptane.gro 2129 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/cgheptane.mdp 799 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/cgheptane.top 3161 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/grompp.log 48680 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/index.ndx 10380 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/mdout-cgheptane.mdp 12445 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/mdrun.log 206 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/qsub_xv.sh 2072 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/run_gmx.sh 177528 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/state.cpt 292417 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/table_CT_CT.xvg 66230 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/test_sim/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/ 11944 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/2hep1200_CG_rerun.o3850314 2340502 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/cg_pressures.xvg 2250498 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/cg_volumes.xvg 165648 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/cgheptane.gro 2281 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/cgheptane.mdp 799 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/cgheptane.top 117484 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/cgheptane.tpr 631 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/error_kin_distro.dat 609 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/error_p_kin_distro.dat 630 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/error_p_vir_distro.dat 630 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/error_press_distro.dat 48680 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/index.ndx 441 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/kin_distro.dat 2340515 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/kinetic_E.xvg 42942781 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/md.log 10370 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/mdout.mdp 1430045 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/p_kin.dat 420 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/p_kin_distro.dat 1430016 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/p_vir.dat 441 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/p_vir_distro.dat 441 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/press_distro.dat 295 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/qsub_xv.sh 36361352 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/rerun.edr 2072 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/run_gmx.sh 292417 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/table_CT_CT.xvg 66230 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/table_b0.xvg 2250481 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/smoothing/thermo_rerun/temp.xvg 2733 07-08-2016 09:15 force_matching_production/2hep1200/combine_ff_production/summarize_input.txt 110818 07-08-2016 09:15 force_matching_production/2hep1200/compare_2hep_bond_potentials.agr 99627 07-08-2016 09:15 force_matching_production/2hep1200/compare_2hep_potentials.agr 252407 07-08-2016 09:15 force_matching_production/2hep1200/compare_slices.agr 36512 07-08-2016 09:15 force_matching_production/2hep1200/index.ndx 78 07-08-2016 09:15 force_matching_production/2hep1200/inp.txt 0 07-08-2016 09:15 force_matching_production/2hep1200/log.txt 431019 07-08-2016 09:15 force_matching_production/2hep1200/map.heptane.1200.top 10382 07-08-2016 09:15 force_matching_production/2hep1200/mdout.mdp 884 07-08-2016 09:15 force_matching_production/2hep1200/par.txt 251 07-08-2016 09:15 force_matching_production/2hep1200/qsub_xv.sh 6157 07-08-2016 09:15 force_matching_production/2hep1200/setup.log 4336 07-08-2016 09:15 force_matching_production/2hep1200/split_cgff_calc.sh 2530 07-08-2016 09:15 force_matching_production/2hep1200/summarize_input.txt 165679 07-08-2016 09:15 force_matching_production/2hep1200/test.gro 0 10-17-2016 13:37 force_matching_production/3hep1200/ 2936094 07-08-2016 09:15 force_matching_production/3hep1200/3hep1200_CGFF_NPT_90ns.o3997422 386806 07-08-2016 09:15 force_matching_production/3hep1200/3hep1200_CGFF_NPT_90ns.o4000116 389552 07-08-2016 09:15 force_matching_production/3hep1200/3hep1200_CGFF_NPT_90ns_rerun.o5211999 692 07-08-2016 09:15 force_matching_production/3hep1200/CGMap.sh 6479 07-08-2016 09:15 force_matching_production/3hep1200/L.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/L.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/L.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/L.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/L.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/L_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/L_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/L_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/b_forces.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/b_forces.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/b_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/b_forces.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/b_forces.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/b_forces_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/b_struct.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/b_struct.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/b_struct.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/b_struct.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/b_struct.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/b_struct_coeff.Pair_Interaction.total.CTCT.dat 131425 07-08-2016 09:15 force_matching_production/3hep1200/cg_states.ndx 0 10-17-2016 13:36 force_matching_production/3hep1200/cgff_paper_production/ 6479 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/L.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/L.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/L.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/L.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/L.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/L_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/L_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/L_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_forces.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_forces.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_forces.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_forces.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_forces_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_struct.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_struct.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_struct.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_struct.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_struct.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/b_struct_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_forces.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_forces.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_forces.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_forces.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_forces_coeff.Pair_Interaction.total.CTCT.dat 6482 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_struct.Angle.total.Angle_CT-CM-CT.dat 4065 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_struct.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_struct.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_struct.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_struct.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/f_struct_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g_cnt.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g_cnt.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g_cnt.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g_cnt.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g_cnt.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/g_coeff.Pair_Interaction.total.CTCT.dat 24 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.FF.dat 16075 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.L.dat 6694946 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.M.dat 6631570 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.Nf.dat 16026 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.b_forces.dat 16305 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.b_struct.dat 6631570 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.d2M.dat 17302 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.d2b.dat 16266 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.g.dat 16571 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.g_cnt.dat 16571 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/ 0 10-17-2016 13:36 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw/ 6200 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw/f_forces.Angle.total.Angle_CT-CM-CT.dat 3751 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw/f_forces.BondStretch.total.Bond_CT-CM.dat 16151 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw/f_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw/f_forces.Pair_Interaction.total.CTCM.dat 16740 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw/f_forces.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw/f_forces_coeff.Pair_Interaction.total.CTCT.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw_tables/ 1093 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw_tables/run.make_gmx4_table.sh 291417 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw_tables/table_CM_CM.xvg 291852 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw_tables/table_CT_CM.xvg 291704 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw_tables/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw_tables/table_a0.xvg 66627 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/raw_tables/table_b0.xvg 1030 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/run.make_gmx4_table.sh 47231 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/show_smoothing.agr 0 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/smoothed/ 8748 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/smoothed/CMCM_smoothed.dat 9347 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/smoothed/CTCM_smoothed.dat 9055 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/smoothed/CTCT_smoothed.dat 2558 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/smoothed/angle_smoothed.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/spliced/ 12575 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/spliced/CMCM_spliced.dat 14526 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/spliced/CTCM_spliced.dat 13962 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/spliced/CTCT_spliced.dat 13963 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/spliced/CTCT_split.dat 3746 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/spliced/angle_spliced.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/table/ 291456 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/table/table_CM_CM.xvg 291876 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/table/table_CT_CM.xvg 291706 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/table/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/table/table_a0.xvg 66627 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/table/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/ 2370 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/#angle.xvg.1# 2377 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/#angle.xvg.2# 192 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/3hep1200_CG_NVT_test.o4055144 2362 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/angle.xvg 248449 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/cgheptane.confout.gro 19761304 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/cgheptane.edr 248487 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/cgheptane.gro 2144 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/cgheptane.mdp 2158 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/cgheptane.top 189776 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/cgheptane.tpr --------- ------- 146643527 245 files ===================================================== Content of ZIP archive force_matching_production-19.zip ===================================================== Archive: force_matching_production-19.zip Length Date Time Name --------- ---------- ----- ---- 5187539364 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/cgheptane.trr 3325 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/grompp.log 103747 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/index.ndx 10382 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/mdout-cgheptane.mdp 8627715 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/mdrun.log 206 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/qsub_xv.sh 2072 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/run_gmx.sh 281216 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/state.cpt 281216 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/state_prev.cpt 291456 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/table_CM_CM.xvg 291876 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/table_CT_CM.xvg 291706 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/table_a0.xvg 66627 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/ 192 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/3hep1200_CG_NVT_test_raw.o4055245 192 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/3hep1200_CG_NVT_test_raw.o4055246 2364 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/angle.xvg 248449 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/cgheptane.confout.gro 19761304 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/cgheptane.edr 248487 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/cgheptane.gro 2144 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/cgheptane.mdp 2158 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/cgheptane.top 189776 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/cgheptane.tpr --------- ------- 5218275613 24 files ===================================================== Content of ZIP archive force_matching_production-20.zip ===================================================== Archive: force_matching_production-20.zip Length Date Time Name --------- ---------- ----- ---- 5187539364 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/cgheptane.trr 3467 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/grompp.log 103747 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/index.ndx 10382 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/mdout-cgheptane.mdp 8627846 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/mdrun.log 210 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/qsub_xv.sh 2072 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/run_gmx.sh 281216 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/state.cpt 281216 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/state_prev.cpt 291417 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/table_CM_CM.xvg 291852 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/table_CT_CM.xvg 291704 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/table_a0.xvg 66627 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_sim_raw/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_smoothing/ 12849 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_smoothing/CMCM_smoothed.dat 16302 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_smoothing/f_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_smoothing/f_forces.Pair_Interaction.total.CTCM.dat 16740 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/test_smoothing/f_forces.Pair_Interaction.total.CTCT.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/ 1035353 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/#enecorr.xvg.1# 1713 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/block_error_pv_total_trace.dat 1799 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/block_error_pv_trace.dat 643790 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/bulk_visco.xvg 388 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/bulk_visco_distro.xvg 428 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/cg_press_distro.dat 2263935 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/cg_pressures.xvg 2250536 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/cg_volumes.xvg 248487 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/cgheptane.gro 2135 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/cgheptane.mdp 2158 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/cgheptane.top 189776 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/cgheptane.tpr 11704 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/compare_PV_NPT-NVT.agr 11583 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/compare_PV_NPT-NVT.png 10128 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/compare_p_xz_distro.agr 2751299 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/compare_pv_splats.agr 1035353 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/enecorr.xvg 14371846 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/energy.xvg 577 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/error_bulk_visco_distro.xvg 617 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/error_cg_press_distro.dat 609 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/error_p_ideal_distro.dat 609 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/error_p_vir_distro.dat 613 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/error_p_xz_distro.dat 617 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/error_press_distro.dat 1752 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/error_pv_total_trace.dat 1816 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/error_pv_trace.dat 1424144 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/evisco.xvg 1408786 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/eviscoi.xvg 103747 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/index.ndx 2430494 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/kin_e.xvg 35021337 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/md.log 10363 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/mdout.mdp 0 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/out.dat 1430042 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/p_ideal.dat 420 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/p_ideal_distro.dat 1430158 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/p_vir.dat 420 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/p_vir_distro.dat 2263353 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/p_xz.xvg 424 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/p_xz_distro.dat 428 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/press_distro.dat 1779932 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/pv.dat 2442745 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/pv_aa-cg_splat.agr 889004 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/pv_aa_abbr.dat 791050 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/pv_abbr.dat 1277 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/pv_trace.dat 305 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/qsub_xv.sh --------- ------- 5274151471 66 files ===================================================== Content of ZIP archive force_matching_production-21.zip ===================================================== Archive: force_matching_production-21.zip Length Date Time Name --------- ---------- ----- ---- 34201304 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/rerun.edr 832 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/sample_pv_total_trace.dat 870 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/sample_pv_trace.dat 263608 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/state.cpt 263608 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/state_prev.cpt 291456 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/table_CM_CM.xvg 291876 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/table_CT_CM.xvg 291706 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/table_a0.xvg 66627 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/table_b0.xvg 4965 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/tcaf.xvg 66522093 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/tcaf_all.xvg 6220 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/tcaf_fit.xvg 697 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/visc_k.xvg 1575523 07-08-2016 09:15 force_matching_production/3hep1200/cgff_paper_production/smoothing/thermo_rerun/visco.xvg 189800 07-08-2016 09:15 force_matching_production/3hep1200/cgheptane.1200.tpr --------- ------- 104000824 16 files ===================================================== Content of ZIP archive force_matching_production-22.zip ===================================================== Archive: force_matching_production-22.zip Length Date Time Name --------- ---------- ----- ---- 23343019364 07-08-2016 09:15 force_matching_production/3hep1200/cgheptane.1200.trr --------- ------- 23343019364 1 file ===================================================== Content of ZIP archive force_matching_production-23.zip ===================================================== Archive: force_matching_production-23.zip Length Date Time Name --------- ---------- ----- ---- 248448 07-08-2016 09:15 force_matching_production/3hep1200/cgheptane.gro 2195 07-08-2016 09:15 force_matching_production/3hep1200/cgheptane.mdp 2159 07-08-2016 09:15 force_matching_production/3hep1200/cgheptane.top 54208 07-08-2016 09:15 force_matching_production/3hep1200/compare_3hep_angle_potentials.agr 112310 07-08-2016 09:15 force_matching_production/3hep1200/compare_3hep_bond_potentials.agr 300861 07-08-2016 09:15 force_matching_production/3hep1200/compare_3hep_nb_potentials.agr 145855 07-08-2016 09:15 force_matching_production/3hep1200/compare_CMCM.agr 145855 07-08-2016 09:15 force_matching_production/3hep1200/compare_CTCM.agr 145855 07-08-2016 09:15 force_matching_production/3hep1200/compare_CTCT.agr 342584 07-08-2016 09:15 force_matching_production/3hep1200/compare_all.agr 18426 07-08-2016 09:15 force_matching_production/3hep1200/compare_b_CMCM.agr 19132 07-08-2016 09:15 force_matching_production/3hep1200/compare_b_CTCM.agr 19359 07-08-2016 09:15 force_matching_production/3hep1200/compare_b_CTCT.agr 145859 07-08-2016 09:15 force_matching_production/3hep1200/compare_forces.agr 43402 07-08-2016 09:15 force_matching_production/3hep1200/compare_rdf_CMCM.agr 43686 07-08-2016 09:15 force_matching_production/3hep1200/compare_rdf_CTCM.agr 43776 07-08-2016 09:15 force_matching_production/3hep1200/compare_rdf_CTCT.agr 61821 07-08-2016 09:15 force_matching_production/3hep1200/compare_v23_3hep.agr 6479 07-08-2016 09:15 force_matching_production/3hep1200/f_forces.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/f_forces.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/f_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/f_forces.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/f_forces.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/f_forces_coeff.Pair_Interaction.total.CTCT.dat 6525 07-08-2016 09:15 force_matching_production/3hep1200/f_struct.Angle.total.Angle_CT-CM-CT.dat 4087 07-08-2016 09:15 force_matching_production/3hep1200/f_struct.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/f_struct.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/f_struct.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/f_struct.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/f_struct_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/g.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/g.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/g.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/g.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/g.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/g_cnt.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/g_cnt.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/g_cnt.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/g_cnt.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/g_cnt.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/g_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/g_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/g_coeff.Pair_Interaction.total.CTCT.dat 447 07-08-2016 09:15 force_matching_production/3hep1200/get_distros.sh 103747 07-08-2016 09:15 force_matching_production/3hep1200/index.ndx 78 07-08-2016 09:15 force_matching_production/3hep1200/inp.txt 80888 07-08-2016 09:15 force_matching_production/3hep1200/log.txt 528219 07-08-2016 09:15 force_matching_production/3hep1200/map.heptane.1200.top 10371 07-08-2016 09:15 force_matching_production/3hep1200/mdout.mdp 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/ 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/40_ns_table_files/ 95583 07-08-2016 09:15 force_matching_production/3hep1200/old_process/40_ns_table_files/CMCM.agr 95957 07-08-2016 09:15 force_matching_production/3hep1200/old_process/40_ns_table_files/CTCM.agr 95612 07-08-2016 09:15 force_matching_production/3hep1200/old_process/40_ns_table_files/CTCT.agr 29266 07-08-2016 09:15 force_matching_production/3hep1200/old_process/40_ns_table_files/table_CM_CM.xvg 29312 07-08-2016 09:15 force_matching_production/3hep1200/old_process/40_ns_table_files/table_CT_CM.xvg 29330 07-08-2016 09:15 force_matching_production/3hep1200/old_process/40_ns_table_files/table_CT_CT.xvg 29642 07-08-2016 09:15 force_matching_production/3hep1200/old_process/40_ns_table_files/table_a0.xvg 18634 07-08-2016 09:15 force_matching_production/3hep1200/old_process/40_ns_table_files/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/ 189776 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/#cgheptane.tpr.1# 28453 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/cg3hep1200_90ns_rdfs.o5601841 525 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/cg3hep1200_90ns_test.o5601749 12340436 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/cgheptane.edr 248487 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/cgheptane.gro 2144 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/cgheptane.mdp 2159 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/cgheptane.top 189776 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/cgheptane.tpr 405 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/get_distros.sh 3390 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/grompp.log 103747 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/index.ndx 10382 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/mdout-cgheptane.mdp 10372 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/mdout.mdp 5647834 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/mdrun.log 221 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/qsub_xf.sh 222 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/qsub_xv.sh 36679 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/rdf_CM-CM.xvg 36687 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/rdf_CT-CM.xvg 36693 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/rdf_CT-CT.xvg 36714 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/rdf_HEP-HEP.xvg 2188 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/run_gmx.sh 311220 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/state.cpt 311220 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/state_prev.cpt 145977 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/table_CM_CM.xvg 146180 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/table_CT_CM.xvg 146239 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/table_a0.xvg 66628 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_sim/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/ 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/21pt_smoothed_nb/ 34871 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/21pt_smoothed_nb/compare_CMCM_NPT-NVT.agr 9580 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/21pt_smoothed_nb/compare_CMCM_NPT-NVT.png 8662 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/21pt_smoothed_nb/smoothed_CMCM.dat 9304 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/21pt_smoothed_nb/smoothed_CTCM.dat 9167 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/21pt_smoothed_nb/smoothed_CTCT.dat 11596 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/21pt_smoothed_nb/spliced_CMCM.dat 12247 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/21pt_smoothed_nb/spliced_CTCM.dat 12003 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/21pt_smoothed_nb/spliced_CTCT.dat 11597 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/21pt_smoothed_nb/split_CMCM.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/7pt_smoothed_angle/ 3093 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/7pt_smoothed_angle/angle_smoothed.dat 4601 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/7pt_smoothed_angle/spliced.dat 32507 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/compare_CMCM_NVT_NPT.agr 9122 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/compare_CMCM_NVT_NPT.png 6138 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/f_forces.Angle.total.Angle_CT-CM-CT.dat 3503 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/f_forces.BondStretch.total.Bond_CT-CM.dat 16089 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/f_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/f_forces.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/f_forces.Pair_Interaction.total.CTCT.dat 1674 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/f_forces_coeff.Pair_Interaction.total.CTCT.dat 1147 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/run.make_gmx4_table.sh 49 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/splice_points.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/table_files/ 145942 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/table_files/table_CM_CM.xvg 146370 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/table_files/table_CT_CM.xvg 146206 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/table_files/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/table_files/table_a0.xvg 66627 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/table_files/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/ 583 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/cg3hep1200_90ns_splice_test.o5606941 19374 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/cg3hep1200_90ns_test.o3863283 30027 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/cg3hep1200_90ns_test_rdf.o3863378 248449 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/cgheptane.confout.gro 19761304 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/cgheptane.edr 248487 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/cgheptane.gro 2144 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/cgheptane.mdp 2159 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/cgheptane.top 189776 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/cgheptane.tpr 5187539364 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/cgheptane.trr 407 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/get_distros.sh 3325 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/grompp.log 103747 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/index.ndx 10382 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/mdout-cgheptane.mdp 9046156 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/mdrun.log 229 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/qsub_xf.sh 229 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/qsub_xj.sh 205 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/qsub_xv.sh 36696 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/rdf_CM-CM.xvg 36694 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/rdf_CT-CM.xvg 36694 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/rdf_CT-CT.xvg 36714 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/rdf_HEP-HEP.xvg 2188 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/run_gmx.sh 321220 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/state.cpt 321220 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/state_prev.cpt 145942 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/table_CM_CM.xvg 146370 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/table_CT_CM.xvg 146206 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/table_a0.xvg 66627 07-08-2016 09:15 force_matching_production/3hep1200/old_process/90ns_test_smoothing/test_sim/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/ 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/L.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/L.BondStretch.total.Bond_CT-CM.dat 16461 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/L.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/L.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/L.Pair_Interaction.total.CTCT.dat 1674 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/L_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/L_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/L_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_forces.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_forces.BondStretch.total.Bond_CT-CM.dat 16461 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_forces.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_forces.Pair_Interaction.total.CTCT.dat 1674 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_forces_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_struct.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_struct.BondStretch.total.Bond_CT-CM.dat 16461 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_struct.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_struct.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_struct.Pair_Interaction.total.CTCT.dat 1674 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/b_struct_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_forces.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_forces.BondStretch.total.Bond_CT-CM.dat 16461 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_forces.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_forces.Pair_Interaction.total.CTCT.dat 1674 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_forces_coeff.Pair_Interaction.total.CTCT.dat 6527 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_struct.Angle.total.Angle_CT-CM-CT.dat 4087 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_struct.BondStretch.total.Bond_CT-CM.dat 16461 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_struct.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_struct.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_struct.Pair_Interaction.total.CTCT.dat 1674 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/f_struct_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g.BondStretch.total.Bond_CT-CM.dat 16461 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g_cnt.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g_cnt.BondStretch.total.Bond_CT-CM.dat 16461 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g_cnt.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g_cnt.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g_cnt.Pair_Interaction.total.CTCT.dat 1674 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1674 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/g_coeff.Pair_Interaction.total.CTCT.dat 24 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.FF.dat 16075 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.L.dat 6694945 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.M.dat 6631570 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.Nf.dat 16026 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.b_forces.dat 16305 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.b_struct.dat 6631570 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.d2M.dat 17302 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.d2b.dat 16266 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.g.dat 16571 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.g_cnt.dat 16571 07-08-2016 09:15 force_matching_production/3hep1200/old_process/cgff/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/ 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/L.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/L.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/L.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/L.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/L.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/L_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/L_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/L_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_forces.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_forces.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_forces.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_forces.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_forces_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_struct.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_struct.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_struct.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_struct.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_struct.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/b_struct_coeff.Pair_Interaction.total.CTCT.dat 6554 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_forces.Angle.total.Angle_CT-CM-CT.dat 4087 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_forces.BondStretch.total.Bond_CT-CM.dat 16874 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_forces.Pair_Interaction.total.CMCM.dat 16802 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_forces.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_forces.Pair_Interaction.total.CTCT.dat 1710 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1706 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_forces_coeff.Pair_Interaction.total.CTCT.dat 8564 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_struct.Angle.total.Angle_CT-CM-CT.dat 5666 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_struct.BondStretch.total.Bond_CT-CM.dat 23411 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_struct.Pair_Interaction.total.CMCM.dat 22827 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_struct.Pair_Interaction.total.CTCM.dat 23804 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_struct.Pair_Interaction.total.CTCT.dat 2287 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_struct_coeff.Pair_Interaction.total.CMCM.dat 2258 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_struct_coeff.Pair_Interaction.total.CTCM.dat 2317 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/f_struct_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g_cnt.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g_cnt.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g_cnt.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g_cnt.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g_cnt.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/g_coeff.Pair_Interaction.total.CTCT.dat 24 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.FF.dat 16075 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.L.dat 6694946 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.M.dat 6631570 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.Nf.dat 16026 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.b_forces.dat 16305 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.b_struct.dat 6631570 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.d2M.dat 17302 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.d2b.dat 16266 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.g.dat 16571 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.g_cnt.dat 16571 07-08-2016 09:15 force_matching_production/3hep1200/old_process/failed_NPT/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/ 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/L.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/L.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/L.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/L.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/L.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/L_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/L_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/L_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_forces.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_forces.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_forces.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_forces.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_forces_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_struct.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_struct.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_struct.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_struct.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_struct.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/b_struct_coeff.Pair_Interaction.total.CTCT.dat 6482 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_forces.Angle.total.Angle_CT-CM-CT.dat 4070 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_forces.BondStretch.total.Bond_CT-CM.dat 16807 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_forces.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_forces.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_forces.Pair_Interaction.total.CTCT.dat 1706 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_forces_coeff.Pair_Interaction.total.CTCT.dat 6545 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_struct.Angle.total.Angle_CT-CM-CT.dat 4099 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_struct.BondStretch.total.Bond_CT-CM.dat 16877 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_struct.Pair_Interaction.total.CMCM.dat 16796 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_struct.Pair_Interaction.total.CTCM.dat 17090 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_struct.Pair_Interaction.total.CTCT.dat 1710 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1706 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/f_struct_coeff.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g.Pair_Interaction.total.CTCT.dat 6479 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g_cnt.Angle.total.Angle_CT-CM-CT.dat 4061 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g_cnt.BondStretch.total.Bond_CT-CM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g_cnt.Pair_Interaction.total.CMCM.dat 16771 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g_cnt.Pair_Interaction.total.CTCM.dat 17081 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g_cnt.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/g_coeff.Pair_Interaction.total.CTCT.dat 24 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.FF.dat 16075 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.L.dat 6694946 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.M.dat 6631570 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.Nf.dat 16294 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.b_forces.dat 16305 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.b_struct.dat 6634789 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.d2M.dat 17352 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.d2b.dat 16266 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.g.dat 16571 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.g_cnt.dat 16571 07-08-2016 09:15 force_matching_production/3hep1200/old_process/reweight_failure/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/ 189800 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/cgheptane.1200.tpr 172964 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/frame0.trr 69 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/inp.txt 1310 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/par.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/ 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/3hep1200_split1.o5601208 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/3hep1200_split1.o5602066 165775 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/3hep1200_split1.o5605976 69 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/inp.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/log.txt 3375 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/out.total.txt 1310 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/par.txt --------- ------- 5305232134 378 files ===================================================== Content of ZIP archive force_matching_production-24.zip ===================================================== Archive: force_matching_production-24.zip Length Date Time Name --------- ---------- ----- ---- 2593899364 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/part1.trr 219 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/qsub_xv.sh 1177 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/run.make_gmx4_table.sh 3924 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part1/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part2/ 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part2/3hep1200_split2.o5601209 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part2/3hep1200_split2.o5602067 69 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part2/inp.txt 80460 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part2/log.txt 3375 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part2/out.total.txt 1310 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part2/par.txt 2593899364 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part2/part2.trr 219 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part2/qsub_xv.sh 1177 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part2/run.make_gmx4_table.sh 3924 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part2/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/ 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/3hep1200_split3.o5601210 182529 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/3hep1200_split3.o5602068 159215 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/3hep1200_split3.o5605978 69 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/inp.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/log.txt 3375 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/out.total.txt 1310 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/par.txt --------- ------- 5188787866 23 files ===================================================== Content of ZIP archive force_matching_production-25.zip ===================================================== Archive: force_matching_production-25.zip Length Date Time Name --------- ---------- ----- ---- 2593899364 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/part3.trr 219 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/qsub_xv.sh 1177 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/run.make_gmx4_table.sh 3924 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part3/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/ 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/3hep1200_split4.o5601211 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/3hep1200_split4.o5602069 162775 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/3hep1200_split4.o5605979 69 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/inp.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/log.txt 3375 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/out.total.txt 1310 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/par.txt 2593899364 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/part4.trr 219 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/qsub_xv.sh 1177 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/run.make_gmx4_table.sh 3924 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part4/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/ 178915 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/3hep1200_split5.o5601212 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/3hep1200_split5.o5602070 152815 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/3hep1200_split5.o5605980 69 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/inp.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/log.txt 3375 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/out.total.txt 1310 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/par.txt --------- ------- 5188860167 24 files ===================================================== Content of ZIP archive force_matching_production-26.zip ===================================================== Archive: force_matching_production-26.zip Length Date Time Name --------- ---------- ----- ---- 2593899364 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/part5.trr 219 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/qsub_xv.sh 1177 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/run.make_gmx4_table.sh 3924 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part5/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part6/ 180730 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part6/3hep1200_split6.o5601213 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part6/3hep1200_split6.o5602071 69 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part6/inp.txt 80438 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part6/log.txt 3375 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part6/out.total.txt 1310 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part6/par.txt 2593899364 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part6/part6.trr 219 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part6/qsub_xv.sh 1177 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part6/run.make_gmx4_table.sh 3924 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part6/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part7/ 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part7/3hep1200_split7.o5601214 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part7/3hep1200_split7.o5602072 69 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part7/inp.txt 80526 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part7/log.txt 3375 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part7/out.total.txt 1310 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part7/par.txt --------- ------- 5188707356 22 files ===================================================== Content of ZIP archive force_matching_production-27.zip ===================================================== Archive: force_matching_production-27.zip Length Date Time Name --------- ---------- ----- ---- 2593899364 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part7/part7.trr 219 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part7/qsub_xv.sh 1177 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part7/run.make_gmx4_table.sh 3924 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part7/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part8/ 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part8/3hep1200_split8.o5601215 182262 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part8/3hep1200_split8.o5602073 69 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part8/inp.txt 80570 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part8/log.txt 3375 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part8/out.total.txt 1310 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part8/par.txt 2593899364 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part8/part8.trr 219 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part8/qsub_xv.sh 1177 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part8/run.make_gmx4_table.sh 3924 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part8/summarize_input.txt 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part9/ 182390 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part9/3hep1200_split9.o5601216 182390 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part9/3hep1200_split9.o5602074 69 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part9/inp.txt 80460 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part9/log.txt 3375 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part9/out.total.txt 1310 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part9/par.txt --------- ------- 5188709210 22 files ===================================================== Content of ZIP archive force_matching_production-28.zip ===================================================== Archive: force_matching_production-28.zip Length Date Time Name --------- ---------- ----- ---- 2593899364 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part9/part9.trr 219 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part9/qsub_xv.sh 1177 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part9/run.make_gmx4_table.sh 3924 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/part9/summarize_input.txt 226 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/qsub_xv.sh 1177 07-08-2016 09:15 force_matching_production/3hep1200/old_process/split_sampling/run.make_gmx4_table.sh 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/table_files/ 145977 07-08-2016 09:15 force_matching_production/3hep1200/old_process/table_files/table_CM_CM.xvg 146180 07-08-2016 09:15 force_matching_production/3hep1200/old_process/table_files/table_CT_CM.xvg 146239 07-08-2016 09:15 force_matching_production/3hep1200/old_process/table_files/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/old_process/table_files/table_a0.xvg 66628 07-08-2016 09:15 force_matching_production/3hep1200/old_process/table_files/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/ 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/21pt_smoothed_nb/ 8816 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/21pt_smoothed_nb/21pt_CMCM.dat 8935 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/21pt_smoothed_nb/21pt_CTCM.dat 8923 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/21pt_smoothed_nb/21pt_CTCT.dat 10997 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/21pt_smoothed_nb/spliced_CMCM.dat 11824 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/21pt_smoothed_nb/spliced_CTCM.dat 11734 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/21pt_smoothed_nb/spliced_CTCT.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/40ns_smoothed/ 36677 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/40ns_smoothed/rdf_CM-CM.xvg 36693 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/40ns_smoothed/rdf_CT-CM.xvg 36681 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/40ns_smoothed/rdf_CT-CT.xvg 36738 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/40ns_smoothed/rdf_HEP-HEP.xvg 145986 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/40ns_smoothed/table_CM_CM.xvg 146171 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/40ns_smoothed/table_CT_CM.xvg 146239 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/40ns_smoothed/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/40ns_smoothed/table_a0.xvg 66628 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/40ns_smoothed/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/7pt_smoothed_angle/ 2554 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/7pt_smoothed_angle/7_pt_angle.dat 3862 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/7pt_smoothed_angle/spliced.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/CMCM/ 81563 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/CMCM/running_avg_LR.agr 81564 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/CMCM/running_avg_SR.agr 81515 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/CMCM/running_avg_all.agr 11161 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/CMCM/splice_30pt_smooth.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/CTCM/ 82281 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/CTCM/smoothed_all.agr 4929 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/f_forces.Angle.total.Angle_CT-CM-CT.dat 3658 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/f_forces.BondStretch.total.Bond_CT-CM.dat 16368 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/f_forces.Pair_Interaction.total.CMCM.dat 16306 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/f_forces.Pair_Interaction.total.CTCM.dat 16523 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/f_forces.Pair_Interaction.total.CTCT.dat 1674 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1705 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1736 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/f_forces_coeff.Pair_Interaction.total.CTCT.dat 1147 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/run.make_gmx4_table.sh 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/spliced_table_files/ 145986 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/spliced_table_files/table_CM_CM.xvg 146171 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/spliced_table_files/table_CT_CM.xvg 146239 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/spliced_table_files/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/spliced_table_files/table_a0.xvg 66628 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/spliced_table_files/table_b0.xvg 50 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/splicing_points.dat 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/ 189776 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/#cgheptane.tpr.1# 883 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/cg3hep1200_splice_test.o5602120 8723 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/cg3hep1200_splice_test.o5603352 30121 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/cg3hep1200_splice_test_rdfs.o5605421 852960 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/cgheptane.edr 248487 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/cgheptane.gro 2144 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/cgheptane.mdp 18918160 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/cgheptane.part0002.edr 2159 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/cgheptane.top 189776 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/cgheptane.tpr 248449 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/confout.part0002.gro 405 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/get_distros.sh 3467 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/grompp.log 103747 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/index.ndx 8671657 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/md.part0002.log 10382 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/mdout-cgheptane.mdp 10372 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/mdout.mdp 404636 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/mdrun.log 228 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/qsub_xf.sh 229 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/qsub_xj.sh 222 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/qsub_xv.sh 36677 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/rdf_CM-CM.xvg 36693 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/rdf_CT-CM.xvg 36681 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/rdf_CT-CT.xvg 36738 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/rdf_HEP-HEP.xvg 2188 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/run_gmx.sh 321240 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/state.cpt 321216 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/state_old.cpt 321240 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/state_prev.cpt 145986 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/table_CM_CM.xvg 146171 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/table_CT_CM.xvg 146239 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/table_a0.xvg 66628 07-08-2016 09:15 force_matching_production/3hep1200/old_process/test_smoothing/test_sim/table_b0.xvg 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/ 12052 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/3hep1200_CG_rerun.o3755258 11950 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/3hep1200_CG_rerun_old_FF.o3846702 1798 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/block_error_pv_trace.dat 1800 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/block_error_pv_trace_1.4.dat 2259011 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/cg_pressures.xvg 2264719 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/cg_pressures_1.4.xvg 2250536 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/cg_volumes.xvg 189776 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/cgheptane.tpr 1815 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/error_pv_trace.dat 1817 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/error_pv_trace_1.4.dat 45643053 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/md.log 0 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/out.dat 1779970 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/pv.dat 1780231 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/pv_1.4.dat 1276 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/pv_trace.dat 1278 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/pv_trace_1.4.dat 299 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/qsub_xv.sh 34201304 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/rerun.edr 870 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/sample_pv_trace.dat 870 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/sample_pv_trace_1.4.dat 145942 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/table_CM_CM.xvg 146370 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/table_CT_CM.xvg 146206 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/table_CT_CT.xvg 29639 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/table_a0.xvg 66627 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/table_b0.xvg 1742660 07-08-2016 09:15 force_matching_production/3hep1200/old_process/thermo_rerun/test.xvg 3449 07-08-2016 09:15 force_matching_production/3hep1200/out.total.txt 1410 07-08-2016 09:15 force_matching_production/3hep1200/par.txt 409 07-08-2016 09:15 force_matching_production/3hep1200/qsub_xv.sh 36711 07-08-2016 09:15 force_matching_production/3hep1200/rdf_CM-CM.xvg 36727 07-08-2016 09:15 force_matching_production/3hep1200/rdf_CT-CM.xvg 36694 07-08-2016 09:15 force_matching_production/3hep1200/rdf_CT-CT.xvg 36722 07-08-2016 09:15 force_matching_production/3hep1200/rdf_HEP-HEP.xvg 1177 07-08-2016 09:15 force_matching_production/3hep1200/run.make_gmx4_table.sh 24 07-08-2016 09:15 force_matching_production/3hep1200/save.FF.dat 16075 07-08-2016 09:15 force_matching_production/3hep1200/save.L.dat 6694946 07-08-2016 09:15 force_matching_production/3hep1200/save.M.dat 6631570 07-08-2016 09:15 force_matching_production/3hep1200/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3hep1200/save.Nf.dat 16026 07-08-2016 09:15 force_matching_production/3hep1200/save.b_forces.dat 16305 07-08-2016 09:15 force_matching_production/3hep1200/save.b_struct.dat 6631570 07-08-2016 09:15 force_matching_production/3hep1200/save.d2M.dat 17302 07-08-2016 09:15 force_matching_production/3hep1200/save.d2b.dat 16266 07-08-2016 09:15 force_matching_production/3hep1200/save.g.dat 16571 07-08-2016 09:15 force_matching_production/3hep1200/save.g_cnt.dat 16571 07-08-2016 09:15 force_matching_production/3hep1200/save.rescale.dat 4086 07-08-2016 09:15 force_matching_production/3hep1200/summarize_input.txt 0 10-17-2016 13:40 force_matching_production/3tol1600/ 0 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/ 2136 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/0_10000.cgtoluene.top 1271 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/L.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/L.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/L.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/L.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/L.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/L_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/L_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/L_coeff.Pair_Interaction.total.CFCF.dat 1271 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_forces.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_forces_coeff.Pair_Interaction.total.CFCF.dat 1271 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_struct.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/b_struct_coeff.Pair_Interaction.total.CFCF.dat 177782 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/cgff.cgtoluene.0_10000.o4001029 252280 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/cgtoluene.1600.tpr --------- ------- 2741195277 168 files ===================================================== Content of ZIP archive force_matching_production-29.zip ===================================================== Archive: force_matching_production-29.zip Length Date Time Name --------- ---------- ----- ---- 3457985764 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/cgtoluene.trr 1271 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_forces.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_forces_coeff.Pair_Interaction.total.CFCF.dat 1271 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_struct.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/f_struct_coeff.Pair_Interaction.total.CFCF.dat 1271 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g.Pair_Interaction.total.CFCF.dat 1271 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g_cnt.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g_cnt.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g_cnt.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g_cnt.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g_cnt.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g_cnt_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g_cnt_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g_cnt_coeff.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/g_coeff.Pair_Interaction.total.CFCF.dat 73 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/inp.txt 90367 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/log.txt 3422 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/out.total.txt 1231 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/par.txt 262 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/qsub_xj.sh 25 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.FF.dat 19285 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.L.dat 9810488 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.M.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.Nf.dat 19417 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.b_forces.dat 20139 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.b_struct.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.d2M.dat 20226 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.d2b.dat 19499 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.g.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.g_cnt.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/save.rescale.dat 4090 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/summarize_input.txt 46004 07-08-2016 09:15 force_matching_production/3tol1600/0_10000/trjconv.0_10000.log 0 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/ 2136 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/10000_20000.cgtoluene.top 1302 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/L.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/L.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/L.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/L.Pair_Interaction.total.CFCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/L.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/L_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/L_coeff.Pair_Interaction.total.CFCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/L_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_forces.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_forces.Pair_Interaction.total.CFCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_forces_coeff.Pair_Interaction.total.CFCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_forces_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_struct.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_struct.Pair_Interaction.total.CFCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_struct_coeff.Pair_Interaction.total.CFCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/b_struct_coeff.Pair_Interaction.total.CFCF.dat 181878 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/cgff.cgtoluene.10000_20000.o4001030 252280 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/cgtoluene.1600.tpr --------- ------- 3488530212 80 files ===================================================== Content of ZIP archive force_matching_production-30.zip ===================================================== Archive: force_matching_production-30.zip Length Date Time Name --------- ---------- ----- ---- 3457985764 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/cgtoluene.trr 1302 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_forces.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_forces.Pair_Interaction.total.CFCB.dat 17414 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_forces_coeff.Pair_Interaction.total.CFCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_forces_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_struct.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_struct.Pair_Interaction.total.CFCB.dat 17417 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_struct_coeff.Pair_Interaction.total.CFCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/f_struct_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g.Pair_Interaction.total.CFCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g_cnt.BondStretch.total.Bond_CB-CB.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g_cnt.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g_cnt.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g_cnt.Pair_Interaction.total.CFCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g_cnt.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g_cnt_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g_cnt_coeff.Pair_Interaction.total.CFCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g_cnt_coeff.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g_coeff.Pair_Interaction.total.CFCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/g_coeff.Pair_Interaction.total.CFCF.dat 73 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/inp.txt 90411 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/log.txt 3422 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/out.total.txt 1231 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/par.txt 266 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/qsub_xj.sh 25 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.FF.dat 19285 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.L.dat 9810536 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.M.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.Nf.dat 19419 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.b_forces.dat 20138 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.b_struct.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.d2M.dat 20224 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.d2b.dat 19500 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.g.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.g_cnt.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/save.rescale.dat 4090 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/summarize_input.txt 47456 07-08-2016 09:15 force_matching_production/3tol1600/10000_20000/trjconv.10000_20000.log 0 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/ 2136 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/20000_30000.cgtoluene.top 1395 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/L.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/L.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/L.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/L.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/L.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/L_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/L_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/L_coeff.Pair_Interaction.total.CFCF.dat 1395 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_forces.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_forces_coeff.Pair_Interaction.total.CFCF.dat 1395 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_struct.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/b_struct_coeff.Pair_Interaction.total.CFCF.dat 181878 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/cgff.cgtoluene.20000_30000.o4001031 252280 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/cgtoluene.1600.tpr --------- ------- 3488532739 80 files ===================================================== Content of ZIP archive force_matching_production-31.zip ===================================================== Archive: force_matching_production-31.zip Length Date Time Name --------- ---------- ----- ---- 3457985764 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/cgtoluene.trr 1399 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_forces.BondStretch.total.Bond_CB-CB.dat 1537 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_forces_coeff.Pair_Interaction.total.CFCF.dat 1545 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_struct.BondStretch.total.Bond_CB-CB.dat 1690 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_struct.BondStretch.total.Bond_CF-CB.dat 18815 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_struct.Pair_Interaction.total.CBCB.dat 18809 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_struct.Pair_Interaction.total.CFCB.dat 18676 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_struct.Pair_Interaction.total.CFCF.dat 1849 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_struct_coeff.Pair_Interaction.total.CBCB.dat 1842 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_struct_coeff.Pair_Interaction.total.CFCB.dat 1826 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/f_struct_coeff.Pair_Interaction.total.CFCF.dat 1395 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g.Pair_Interaction.total.CFCF.dat 1395 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g_cnt.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g_cnt.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g_cnt.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g_cnt.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g_cnt.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g_cnt_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g_cnt_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g_cnt_coeff.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/g_coeff.Pair_Interaction.total.CFCF.dat 73 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/inp.txt 90499 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/log.txt 3434 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/out.total.txt 1231 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/par.txt 266 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/qsub_xj.sh 25 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.FF.dat 19285 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.L.dat 9810807 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.M.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.Nf.dat 19419 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.b_forces.dat 20137 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.b_struct.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.d2M.dat 20226 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.d2b.dat 19501 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.g.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.g_cnt.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/save.rescale.dat 4090 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/summarize_input.txt 47860 07-08-2016 09:15 force_matching_production/3tol1600/20000_30000/trjconv.20000_30000.log 0 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/ 2136 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/30000_40000.cgtoluene.top 1302 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/L.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/L.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/L.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/L.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/L.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/L_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/L_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/L_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_forces.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_forces_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_struct.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/b_struct_coeff.Pair_Interaction.total.CFCF.dat 181878 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/cgff.cgtoluene.30000_40000.o4001032 252280 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/cgtoluene.1600.tpr --------- ------- 3488537471 80 files ===================================================== Content of ZIP archive force_matching_production-32.zip ===================================================== Archive: force_matching_production-32.zip Length Date Time Name --------- ---------- ----- ---- 3457985764 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/cgtoluene.trr 1302 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_forces.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_forces_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_struct.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/f_struct_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g_cnt.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g_cnt.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g_cnt.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g_cnt.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g_cnt.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g_cnt_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g_cnt_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g_cnt_coeff.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/g_coeff.Pair_Interaction.total.CFCF.dat 73 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/inp.txt 90433 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/log.txt 3422 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/out.total.txt 1231 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/par.txt 266 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/qsub_xj.sh 25 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.FF.dat 19285 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.L.dat 9810713 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.M.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.Nf.dat 19421 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.b_forces.dat 20138 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.b_struct.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.d2M.dat 20224 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.d2b.dat 19501 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.g.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.g_cnt.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/save.rescale.dat 4090 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/summarize_input.txt 48279 07-08-2016 09:15 force_matching_production/3tol1600/30000_40000/trjconv.30000_40000.log 301074 07-08-2016 09:15 force_matching_production/3tol1600/3tol1600_NPT_CGFF.o3997423 0 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/ 2136 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/40000_50000.cgtoluene.top 1302 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/L.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/L.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/L.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/L.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/L.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/L_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/L_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/L_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_forces.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_forces_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_struct.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/b_struct_coeff.Pair_Interaction.total.CFCF.dat 179318 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/cgff.cgtoluene.40000_50000.o4001033 252280 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/cgtoluene.1600.tpr --------- ------- 3488830834 81 files ===================================================== Content of ZIP archive force_matching_production-33.zip ===================================================== Archive: force_matching_production-33.zip Length Date Time Name --------- ---------- ----- ---- 3458331528 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/cgtoluene.trr 1302 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_forces.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_forces_coeff.Pair_Interaction.total.CFCF.dat 1307 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_struct.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/f_struct_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g_cnt.BondStretch.total.Bond_CB-CB.dat 1519 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g_cnt.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g_cnt.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g_cnt.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g_cnt.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g_cnt_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g_cnt_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g_cnt_coeff.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/g_coeff.Pair_Interaction.total.CFCF.dat 73 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/inp.txt 90364 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/log.txt 2282 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/out.total.txt 1286 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/par.txt 266 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/qsub_xj.sh 25 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.FF.dat 19285 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.L.dat 9810685 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.M.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.Nf.dat 19419 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.b_forces.dat 20138 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.b_struct.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.d2M.dat 20224 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.d2b.dat 19500 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.g.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.g_cnt.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/save.rescale.dat 4255 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/summarize_input.txt 16738 07-08-2016 09:15 force_matching_production/3tol1600/40000_50000/trjconv.40000_50000.log 0 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/ 2136 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/50000_60000.cgtoluene.top 1302 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/L.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/L.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/L.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/L.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/L.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/L_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/L_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/L_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_forces.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_forces_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_struct.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/b_struct_coeff.Pair_Interaction.total.CFCF.dat 181878 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/cgff.cgtoluene.50000_60000.o4001034 252280 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/cgtoluene.1600.tpr --------- ------- 3488845435 80 files ===================================================== Content of ZIP archive force_matching_production-34.zip ===================================================== Archive: force_matching_production-34.zip Length Date Time Name --------- ---------- ----- ---- 3457985764 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/cgtoluene.trr 1302 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_forces.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_forces_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_struct.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/f_struct_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g_cnt.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g_cnt.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g_cnt.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g_cnt.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g_cnt.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g_cnt_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g_cnt_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g_cnt_coeff.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/g_coeff.Pair_Interaction.total.CFCF.dat 73 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/inp.txt 90411 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/log.txt 3423 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/out.total.txt 1231 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/par.txt 266 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/qsub_xj.sh 25 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.FF.dat 19285 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.L.dat 9810618 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.M.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.Nf.dat 19420 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.b_forces.dat 20139 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.b_struct.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.d2M.dat 20225 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.d2b.dat 19499 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.g.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.g_cnt.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/save.rescale.dat 4090 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/summarize_input.txt 8911 07-08-2016 09:15 force_matching_production/3tol1600/50000_60000/trjconv.50000_60000.log 0 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/ 1457 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/L.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/L.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/L.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/L.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/L.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/L_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/L_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/L_coeff.Pair_Interaction.total.CFCF.dat 5565 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/S.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_forces.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_forces_coeff.Pair_Interaction.total.CFCF.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_struct.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/b_struct_coeff.Pair_Interaction.total.CFCF.dat --------- ------- 3488062354 78 files ===================================================== Content of ZIP archive force_matching_production-35.zip ===================================================== Archive: force_matching_production-35.zip Length Date Time Name --------- ---------- ----- ---- 18760117348 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/cgtoluene.1600.trr --------- ------- 18760117348 1 file ===================================================== Content of ZIP archive force_matching_production-36.zip ===================================================== Archive: force_matching_production-36.zip Length Date Time Name --------- ---------- ----- ---- 1457 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_forces.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_forces_coeff.Pair_Interaction.total.CFCF.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_struct.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/f_struct_coeff.Pair_Interaction.total.CFCF.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g.Pair_Interaction.total.CFCF.dat 1457 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g_cnt.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g_cnt.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g_cnt.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g_cnt.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g_cnt.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g_cnt_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g_cnt_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g_cnt_coeff.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/g_coeff.Pair_Interaction.total.CFCF.dat 25 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.FF.dat 19285 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.L.dat 9810949 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.M.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.Nf.dat 19424 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.b_forces.dat 20134 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.b_struct.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.d2M.dat 20226 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.d2b.dat 19504 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.g.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.g_cnt.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/50ns_large/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/ 2136 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/60000_70000.cgtoluene.top 1302 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/L.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/L.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/L.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/L.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/L.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/L_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/L_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/L_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_forces.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_forces_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_struct.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/b_struct_coeff.Pair_Interaction.total.CFCF.dat 181878 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/cgff.cgtoluene.60000_70000.o4001035 252280 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/cgtoluene.1600.tpr 3457985764 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/cgtoluene.trr 1302 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_forces.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_forces_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_struct.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/f_struct_coeff.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g.Pair_Interaction.total.CFCF.dat 1302 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g_cnt.BondStretch.total.Bond_CB-CB.dat 1488 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g_cnt.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g_cnt.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g_cnt.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g_cnt.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g_cnt_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g_cnt_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g_cnt_coeff.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/g_coeff.Pair_Interaction.total.CFCF.dat 73 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/inp.txt 90411 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/log.txt 3422 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/out.total.txt 1231 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/par.txt 266 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/qsub_xj.sh 25 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.FF.dat 19285 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.L.dat 9810555 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.M.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.Nf.dat 19420 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.b_forces.dat 20139 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.b_struct.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.d2M.dat 20225 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.d2b.dat 19499 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.g.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.g_cnt.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/save.rescale.dat 4090 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/summarize_input.txt 41455 07-08-2016 09:15 force_matching_production/3tol1600/60000_70000/trjconv.60000_70000.log 0 10-17-2016 13:39 force_matching_production/3tol1600/70ns_large/ 1395 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/L.BondStretch.total.Bond_CB-CB.dat 1550 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/L.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/L.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/L.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/L.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/L_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/L_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/L_coeff.Pair_Interaction.total.CFCF.dat 1395 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_forces.BondStretch.total.Bond_CB-CB.dat 1550 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_forces_coeff.Pair_Interaction.total.CFCF.dat 1395 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_struct.BondStretch.total.Bond_CB-CB.dat 1550 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/b_struct_coeff.Pair_Interaction.total.CFCF.dat 1395 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_forces.BondStretch.total.Bond_CB-CB.dat 1550 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_forces_coeff.Pair_Interaction.total.CFCF.dat 1395 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_struct.BondStretch.total.Bond_CB-CB.dat 1550 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/f_struct_coeff.Pair_Interaction.total.CFCF.dat 1395 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g.BondStretch.total.Bond_CB-CB.dat 1550 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g.Pair_Interaction.total.CFCF.dat 1395 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g_cnt.BondStretch.total.Bond_CB-CB.dat 1550 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g_cnt.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g_cnt.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g_cnt.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g_cnt.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g_cnt_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g_cnt_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g_cnt_coeff.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/g_coeff.Pair_Interaction.total.CFCF.dat 25 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.FF.dat 19285 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.L.dat 9811131 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.M.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.M2.dat 7 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.Nf.dat 19422 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.b_forces.dat 20134 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.b_struct.dat 9796780 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.d2M.dat 20225 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.d2b.dat 19504 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.g.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.g_cnt.dat 19958 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/save.rescale.dat 0 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/ 1395 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/f_forces.BondStretch.total.Bond_CB-CB.dat 1550 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/f_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/f_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/f_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/f_forces.Pair_Interaction.total.CFCF.dat 1118 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/run.make_gmx4_table.sh 554 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/smoothed_bond_CB-CB.dat 665 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/smoothed_bond_CF-CB.dat 9424 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/smoothed_nb_CB-CB.dat 9502 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/smoothed_nb_CF-CB.dat 9179 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/smoothed_nb_CF-CF.dat 9197 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/spliced_nb_CB-CB.dat 14045 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/spliced_nb_CF-CB.dat 13248 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/spliced_nb_CF-CF.dat 0 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/table_files/ 146322 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/table_files/table_CB_CB.xvg 146425 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/table_files/table_CF_CB.xvg 145920 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/table_files/table_CF_CF.xvg 66594 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/table_files/table_b1.xvg 66754 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/table_files/table_b2.xvg 0 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/ 5698 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/3tol1600_CG_rerun.o3768817 6038 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/3tol1600_CG_rerun.o3769161 11252 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/3tol1600_CG_rerun.o3769162 1820895 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/cg_pressures.xvg 331248 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/cgtoluene.gro 2194 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/cgtoluene.mdp 2136 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/cgtoluene.top 252256 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/cgtoluene.tpr 280285 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/index.ndx 33389980 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/md.log 10371 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/mdout.mdp 295 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/qsub_xv.sh 26046848 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/rerun.edr 146322 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/table_CB_CB.xvg 146425 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/table_CF_CB.xvg 145920 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/table_CF_CF.xvg 66594 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/table_b1.xvg 66754 07-08-2016 09:15 force_matching_production/3tol1600/70ns_large/smoothed/thermo_rerun/table_b2.xvg 707 07-08-2016 09:15 force_matching_production/3tol1600/CGMap.sh 5521 07-08-2016 09:15 force_matching_production/3tol1600/avg_all_chkpts.py 252280 07-08-2016 09:15 force_matching_production/3tol1600/cgtoluene.1600.tpr --------- ------- 3611955969 236 files ===================================================== Content of ZIP archive force_matching_production-37.zip ===================================================== Archive: force_matching_production-37.zip Length Date Time Name --------- ---------- ----- ---- 24209012224 07-08-2016 09:15 force_matching_production/3tol1600/cgtoluene.1600.trr --------- ------- 24209012224 1 file ===================================================== Content of ZIP archive force_matching_production-38.zip ===================================================== Archive: force_matching_production-38.zip Length Date Time Name --------- ---------- ----- ---- 252280 07-08-2016 09:15 force_matching_production/3tol1600/cgtoluene.analysis.tpr 2136 07-08-2016 09:15 force_matching_production/3tol1600/cgtoluene.analysis_mass.top 331248 07-08-2016 09:15 force_matching_production/3tol1600/cgtoluene.gro 2194 07-08-2016 09:15 force_matching_production/3tol1600/cgtoluene.mdp 2136 07-08-2016 09:15 force_matching_production/3tol1600/cgtoluene.top 8256 07-08-2016 09:15 force_matching_production/3tol1600/cgtoluene.trr_info.txt 0 10-17-2016 13:38 force_matching_production/3tol1600/com_treatment/ 78948 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/1tol.tpr 332 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3-1site.top 110452 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3_com.gro 26665 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3a.dat 110452 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3a_com.gro 110477 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3a_com_whole.gro 41600 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3a_dat.dat 92086 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3a_distro.dat 110452 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3b_com.gro 27018 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3c.dat 110452 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3c_com.gro 41600 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3c_dat.dat 92823 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3c_distro.dat 110452 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/3d_com.gro 110452 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/_com.gro 24579 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/_dist.dat 399 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/_dist_distro.dat 28535 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/a_dist.dat 405 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/a_dist_distro.dat 710 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/aa-1site.top 1656081 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/aa_frame0.gro 28463 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/b_dist.dat 405 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/b_dist_distro.dat 28623 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/c_dist.dat 408 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/c_dist_distro.dat 0 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/cg.xtc 899 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/com_diff.py 28719 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/d_dist.dat 401 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/d_dist_distro.dat 136573 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/error_3a_distro.dat 137679 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/error_3c_distro.dat 588 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/error__dist_distro.dat 594 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/error_a_dist_distro.dat 594 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/error_b_dist_distro.dat 597 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/error_c_dist_distro.dat 590 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/error_d_dist_distro.dat 590 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/error_{}_dist_distro.dat 331285 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/frame0.gro 110452 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/full_com.gro 110477 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/full_com_whole.gro 41600 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/full_dat.dat 490 07-08-2016 09:15 force_matching_production/3tol1600/com_treatment/try_wt.sh 1395 07-08-2016 09:15 force_matching_production/3tol1600/f_forces.BondStretch.total.Bond_CB-CB.dat 1550 07-08-2016 09:15 force_matching_production/3tol1600/f_forces.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/f_forces.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/f_forces.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/f_forces.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/f_forces_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/f_forces_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/f_forces_coeff.Pair_Interaction.total.CFCF.dat 1395 07-08-2016 09:15 force_matching_production/3tol1600/f_struct.BondStretch.total.Bond_CB-CB.dat 1550 07-08-2016 09:15 force_matching_production/3tol1600/f_struct.BondStretch.total.Bond_CF-CB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/f_struct.Pair_Interaction.total.CBCB.dat 17391 07-08-2016 09:15 force_matching_production/3tol1600/f_struct.Pair_Interaction.total.CFCB.dat 17081 07-08-2016 09:15 force_matching_production/3tol1600/f_struct.Pair_Interaction.total.CFCF.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/f_struct_coeff.Pair_Interaction.total.CBCB.dat 1767 07-08-2016 09:15 force_matching_production/3tol1600/f_struct_coeff.Pair_Interaction.total.CFCB.dat 1736 07-08-2016 09:15 force_matching_production/3tol1600/f_struct_coeff.Pair_Interaction.total.CFCF.dat 280285 07-08-2016 09:15 force_matching_production/3tol1600/index.ndx 78 07-08-2016 09:15 force_matching_production/3tol1600/inp.txt 90452 07-08-2016 09:15 force_matching_production/3tol1600/log.txt 339819 07-08-2016 09:15 force_matching_production/3tol1600/map.toluene.1600.top 10371 07-08-2016 09:15 force_matching_production/3tol1600/mdout.mdp 2288 07-08-2016 09:15 force_matching_production/3tol1600/out.total.txt 1286 07-08-2016 09:15 force_matching_production/3tol1600/par.txt 270 07-08-2016 09:15 force_matching_production/3tol1600/qsub_xv.sh 15 07-08-2016 09:15 force_matching_production/3tol1600/save.FF.dat 15225 07-08-2016 09:15 force_matching_production/3tol1600/save.L.dat 7748586 07-08-2016 09:15 force_matching_production/3tol1600/save.M.dat 7734300 07-08-2016 09:15 force_matching_production/3tol1600/save.M2.dat 15 07-08-2016 09:15 force_matching_production/3tol1600/save.Nf.dat 15352 07-08-2016 09:15 force_matching_production/3tol1600/save.b_forces.dat 15273 07-08-2016 09:15 force_matching_production/3tol1600/save.b_struct.dat 7734300 07-08-2016 09:15 force_matching_production/3tol1600/save.d2M.dat 15225 07-08-2016 09:15 force_matching_production/3tol1600/save.d2b.dat 15444 07-08-2016 09:15 force_matching_production/3tol1600/save.g.dat 15225 07-08-2016 09:15 force_matching_production/3tol1600/save.g_cnt.dat 15225 07-08-2016 09:15 force_matching_production/3tol1600/save.rescale.dat 2546 07-08-2016 09:15 force_matching_production/3tol1600/setup.log 0 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/ 0 10-17-2016 13:40 force_matching_production/3tol1600/smoothed/raw/ 1023 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/raw/f_forces.BondStretch.total.Bond_CB-CB.dat 1271 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/raw/f_forces.BondStretch.total.Bond_CF-CB.dat 17298 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/raw/f_forces.Pair_Interaction.total.CBCB.dat 17298 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/raw/f_forces.Pair_Interaction.total.CFCB.dat 16864 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/raw/f_forces.Pair_Interaction.total.CFCF.dat 2512 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/run.make_gmx4_table.sh 0 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/smooth/ 9498 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/smooth/CBCB_smoothed.dat 9472 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/smooth/CFCB_smoothed.dat 9048 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/smooth/CFCF_smoothed.dat 0 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/spliced/ 13046 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/spliced/CBCB_spliced.dat 14678 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/spliced/CFCB_spliced.dat 14215 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/spliced/CFCF_spliced.dat 0 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/table/ 291813 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/table/table_CB_CB.xvg 291925 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/table/table_CF_CB.xvg 291411 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/table/table_CF_CF.xvg 66594 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/table/table_b1.xvg 66754 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/table/table_b2.xvg 0 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/ 331285 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/cgtoluene.gro 2143 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/cgtoluene.mdp 2136 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/cgtoluene.top 280285 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/index.ndx 206 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/qsub_xv.sh 2072 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/run_gmx.sh 291813 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/table_CB_CB.xvg 291925 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/table_CF_CB.xvg 291411 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/table_CF_CF.xvg 66594 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/table_b1.xvg 66754 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/test_sim/table_b2.xvg 0 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/ 11061 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/3tol1600_CG_rerun.o3846701 1820884 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/cg_pressures.xvg 331248 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/cgtoluene.gro 2132 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/cgtoluene.mdp 2136 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/cgtoluene.top 252256 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/cgtoluene.tpr 280285 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/index.ndx 33387540 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/md.log 10362 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/mdout.mdp 292 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/qsub_xv.sh 26046848 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun.edr 0 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/ 8232 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/#pressure.xvg.1# 10801 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/3tol1600_CG_rerun_full_mass.o3871917 1890891 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/KE.xvg 3546109 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/LJ_world_fluct.agr 54 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/Q.dat 1960912 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/U.xvg 483 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/U_distro.dat 1171255 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/W.dat 4038484 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/W.xvg 476 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/W_distro.dat 1778694 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/aa_pressures.xvg 1750847 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/aa_volumes.xvg 2136 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/cgtoluene.top 252256 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/cgtoluene.tpr 634 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/config.ini 674 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/error_U_distro.dat 675 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/error_W_distro.dat 18 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/g_cnt.dat 79 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/log.txt 25146644 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/md.log 10362 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/mdout.mdp 1820880 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/pressure.xvg 1186 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/print_Fv.py 78 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/psi.dat 305 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/qsub_xv.sh 26046848 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/rerun.edr 291813 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/table_CB_CB.xvg 291925 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/table_CF_CB.xvg 291411 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/table_CF_CF.xvg 66594 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/table_b1.xvg 66754 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/rerun_total_mass/table_b2.xvg 291813 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/table_CB_CB.xvg 291925 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/table_CF_CB.xvg 291411 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/table_CF_CF.xvg 66594 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/table_b1.xvg 66754 07-08-2016 09:15 force_matching_production/3tol1600/smoothed/thermo_rerun/table_b2.xvg 4327 07-08-2016 09:15 force_matching_production/3tol1600/split_cgff_calc.sh 4260 07-08-2016 09:15 force_matching_production/3tol1600/summarize_input.txt --------- ------- 164986965 171 files