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01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt1/qsub.sh 297852 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt1/state.cpt 297852 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt1/state_prev.cpt 0 01-24-2017 15:40 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/ 3906 01-21-2017 09:43 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/butane.itp 9319 01-21-2017 09:43 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/decane.itp 54087032 01-21-2017 09:43 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/md.log 10329 01-21-2017 09:43 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/mdout.mdp 425360 01-21-2017 09:43 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/mix.gro 2103 01-21-2017 09:43 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/mix.mdp 476 01-21-2017 09:43 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/mix.top 324944 01-21-2017 09:43 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/mix.tpr 7968 01-21-2017 09:48 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/npt2_butane_decane.o5704656 267 01-21-2017 09:43 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/qsub.sh 298012 01-21-2017 09:48 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/state.cpt 298012 01-21-2017 09:48 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/npt2/state_prev.cpt 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/ 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/ 54 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/Q.dat 1851689 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/aa_pressures.xvg 1407 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/aa_vol_distro.dat 1810437 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/aa_volumes.xvg 1882813 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/cg_pressures.xvg 1810434 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/cg_volumes.xvg 609 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/config.ini 588 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/error_aa_vol_distro.dat 18 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/g_cnt.dat 79 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/log.txt 74 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/psi.dat 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/ 307652 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/angle_E.dat 307594 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/bond_E.dat 2667 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/but-dec.lmp 959 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/but_dec_mix_iter0.o5706495 651 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/but_dec_mix_iter0.o5706496 774306 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/but_dec_mix_iter0.o5706497 102428 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/coul_E.dat 51558 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/data.but_dec 308754 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/enthalpy.dat 588 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/error_vol_distro.dat 307636 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/kinetic_E.dat 28306 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/lammps_angle_CT-CM-CM.table 48897 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/lammps_bond_CM-CM.table 49282 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/lammps_bond_CT-CM.table 50572 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/lammps_bond_CT-CT.table 116143 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/lammps_nb_CMCM.table 116376 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/lammps_nb_CTCM.table 116640 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/lammps_nb_CTCT.table 524288 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/log.lammps 37486592 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/outfile.xtc 317935 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/potential_E.dat 312760 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/press.dat 1483287 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/press_tens.dat 213 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/qsub.sh 127370 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/state1.restart 127370 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/state2.restart 307673 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/temp.dat 317972 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/vdw_E.dat 307699 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/vol.dat 1407 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter0/test_sim/vol_distro.dat 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/ 18 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/AA_g_cnt.dat 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/CG_Q.dat 18 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/CG_g_cnt.dat 42 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/Q.dat 1851689 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/aa_pressures.xvg 1407 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/aa_vol_distro.dat 1810437 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/aa_volumes.xvg 1882813 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/cg_pressures.xvg 1810434 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/cg_volumes.xvg 593 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/config.ini 588 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/error_aa_vol_distro.dat 18 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/g_cnt.dat 158 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/log.txt 312760 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/press.dat 75 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/psi.dat 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/ 297759 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/angle_E.dat 297819 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/bond_E.dat 2670 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/but-dec.lmp 959 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/but_dec_mix_iter0.o5706495 651 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/but_dec_mix_iter0.o5706496 774306 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/but_dec_mix_iter0.o5706497 751361 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/but_dec_mix_iter1.o5706830 98930 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/coul_E.dat 51558 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/data.but_dec 299111 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/enthalpy.dat 588 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/error_vol_distro.dat 297865 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/kinetic_E.dat 28306 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/lammps_angle_CT-CM-CM.table 48897 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/lammps_bond_CM-CM.table 49282 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/lammps_bond_CT-CM.table 50572 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/lammps_bond_CT-CT.table 116143 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/lammps_nb_CMCM.table 116376 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/lammps_nb_CTCM.table 116640 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/lammps_nb_CTCT.table 753769 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/log.lammps 36339300 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/outfile.xtc 307833 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/potential_E.dat 303068 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/press.dat 1437481 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/press_tens.dat 213 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/qsub.sh 127370 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/state1.restart 127370 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/state2.restart 297763 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/temp.dat 307815 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/vdw_E.dat 297843 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/vol.dat 1407 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/test_sim/vol_distro.dat 307699 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter1/vol.dat 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/ 18 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/AA_g_cnt.dat 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/CG_Q.dat 18 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/CG_g_cnt.dat 42 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/Q.dat 1851689 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/aa_pressures.xvg 1407 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/aa_vol_distro.dat 1810437 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/aa_volumes.xvg 1882813 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/cg_pressures.xvg 1810434 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/cg_volumes.xvg 593 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/config.ini 588 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/error_aa_vol_distro.dat 18 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/g_cnt.dat 158 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/log.txt 303068 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/press.dat 77 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/psi.dat 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/ 297806 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/angle_E.dat 297771 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/bond_E.dat 2669 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/but-dec.lmp 959 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/but_dec_mix_iter0.o5706495 651 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/but_dec_mix_iter0.o5706496 774306 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/but_dec_mix_iter0.o5706497 751361 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/but_dec_mix_iter1.o5706830 655 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/but_dec_mix_iter2.o5706861 1028 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/but_dec_mix_iter2.o5706862 751196 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/but_dec_mix_iter2.o5706863 98930 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/coul_E.dat 51558 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/data.but_dec 298948 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/enthalpy.dat 588 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/error_vol_distro.dat 297818 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/kinetic_E.dat 28306 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/lammps_angle_CT-CM-CM.table 48897 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/lammps_bond_CM-CM.table 49282 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/lammps_bond_CT-CM.table 50572 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/lammps_bond_CT-CT.table 116143 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/lammps_nb_CMCM.table 116376 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/lammps_nb_CTCM.table 116640 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/lammps_nb_CTCT.table 753766 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/log.lammps 36335488 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/outfile.xtc 307846 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/potential_E.dat 302926 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/press.dat 1407287 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/press_tens.dat 276 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/qsub.sh 127382 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/state1.restart 127382 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/state2.restart 297822 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/temp.dat 307746 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/vdw_E.dat 297845 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/vol.dat 1407 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/test_sim/vol_distro.dat 297843 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter2/vol.dat 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/ 18 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/AA_g_cnt.dat 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/CG_Q.dat 18 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/CG_g_cnt.dat 42 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/Q.dat 1851689 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/aa_pressures.xvg 1344440 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/aa_pv.dat 276 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/aa_pv_trace.dat 1407 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/aa_vol_distro.dat 1810437 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/aa_volumes.xvg 393 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/block_error_aa_pv_trace.dat 1882813 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/cg_pressures.xvg 1810434 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/cg_volumes.xvg 593 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/config.ini 405 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/error_aa_pv_trace.dat 588 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/error_aa_vol_distro.dat 18 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/g_cnt.dat 158 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/log.txt 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/out.dat 302926 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/press.dat 77 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/psi.dat 186 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/sample_aa_pv_trace.dat 0 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/ 603 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/analyze.sh 297854 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/angle_E.dat 300 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/block_error_pv_trace.dat 297804 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/bond_E.dat 2668 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/but-dec.lmp 25477 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/but_dec.ndx 45368 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/cg_mixture.tpr 98930 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/coul_E.dat 51558 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/data.but_dec 298856 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/enthalpy.dat 305 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/error_pv_trace.dat 588 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/error_vol_distro.dat 297818 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/kinetic_E.dat 28306 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/lammps_angle_CT-CM-CM.table 48897 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter3/test_sim/lammps_bond_CM-CM.table 49282 01-21-2017 10:00 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JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter4/test_sim/data.but_dec 298944 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter4/test_sim/enthalpy.dat 588 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter4/test_sim/error_vol_distro.dat 297830 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter4/test_sim/kinetic_E.dat 28306 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter4/test_sim/lammps_angle_CT-CM-CM.table 48897 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter4/test_sim/lammps_bond_CM-CM.table 49282 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter4/test_sim/lammps_bond_CT-CM.table 50572 01-21-2017 10:00 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/butane-decane/pmatch/iter4/test_sim/lammps_bond_CT-CT.table 116143 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JPCB2017_BOCS_RELEASE/alkane_XN_production_data/make_tables/decane_indiv/table_b_CM-CM.xvg 49815 01-09-2017 10:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/make_tables/decane_indiv/table_b_CT-CM.xvg 0 01-09-2017 10:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/make_tables/heptane_indiv/ 291529 01-09-2017 10:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/make_tables/heptane_indiv/table_CM_CM.xvg 291790 01-09-2017 10:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/make_tables/heptane_indiv/table_CT_CM.xvg 291708 01-09-2017 10:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/make_tables/heptane_indiv/table_CT_CT.xvg 29638 01-09-2017 10:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/make_tables/heptane_indiv/table_a_CT-CM-CT.xvg 49827 01-09-2017 10:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/make_tables/heptane_indiv/table_b_CT-CM.xvg 0 10-02-2017 11:26 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/ 0 10-02-2017 16:35 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/ 132167937 10-02-2017 11:27 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/AA_mapped_butane_gyrate.xvg 1708 10-02-2017 16:33 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/AA_mapped_butane_histo.dat 132167937 10-02-2017 11:27 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/AA_mapped_decane_gyrate.xvg 5908 10-02-2017 16:35 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/AA_mapped_decane_histo.dat 132167937 10-02-2017 11:27 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/AA_mapped_heptane_gyrate.xvg 3832 10-02-2017 16:35 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/AA_mapped_heptane_histo.dat 30464 10-02-2017 12:52 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/Butane_bond_rg_comp.agr 88112937 10-02-2017 11:27 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/MSCG_butane_gyrate.xvg 1633 10-02-2017 16:33 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/MSCG_butane_histo.dat 88112937 10-02-2017 11:27 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/MSCG_decane_gyrate.xvg 5375 10-02-2017 16:35 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/MSCG_decane_histo.dat 88112937 10-02-2017 16:17 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/MSCG_heptane_gyrate.xvg 3754 10-02-2017 16:35 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/MSCG_heptane_histo.dat 4128 10-02-2017 12:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/README 61483 10-02-2017 11:28 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/Rg_distros_only.agr 88112937 10-02-2017 11:27 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/XN_butane_gyrate.xvg 1651 10-02-2017 16:33 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/XN_butane_histo.dat 88112937 10-02-2017 11:27 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/XN_decane_gyrate.xvg 5400 10-02-2017 16:35 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/XN_decane_histo.dat 88112937 10-02-2017 11:27 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/XN_heptane_gyrate.xvg 3736 10-02-2017 16:35 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/XN_heptane_histo.dat 9260 10-02-2017 11:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/gmx_gyrate_mod.c 9195 10-02-2017 11:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/RadGyr/gmx_gyrate_vanilla.c 0 01-17-2017 20:19 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/ 18 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/AA_g_cnt.dat 0 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/CG_Q.dat 18 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/CG_g_cnt.dat 42 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/Q.dat 1152503 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/aa_pressures.xvg 399 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/aa_vol_dist.xvg 1125482 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/aa_volumes.xvg 388 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/block_error_pv_trace.dat 602 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/config.ini 588 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/error_aa_vol_dist.xvg 392 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/error_pv_trace.dat 588 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/error_vol_dist.dat 588 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/error_vol_distro.dat 18 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/g_cnt.dat 158 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/log.txt 0 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/out.dat 875317 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/press.dat 75 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/psi.dat 12520 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/psi_plot.dat 1250224 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/pv.dat 271 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/pv_trace.dat 183 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/sample_pv_trace.dat 0 09-29-2017 14:40 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/ 20048 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/#rdf_CTCT.xvg.1# 786432 12-08-2016 14:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/#rg_heptane.xvg.1# 22147 12-08-2016 14:36 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/BUT_pmatch_XN_analyze.o2266325 0 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/BUT_pmatch_XN_test_iter1.o2101421 0 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/BUT_pmatch_XN_test_iter1.o2101423 506 12-08-2016 14:30 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/analyze.sh 318930 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/angle_E.dat 449 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/block_error_pv_trace.dat 1636 12-08-2016 14:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/bond_CTCT.xvg 915635 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/bond_E.dat 27956 12-08-2016 14:30 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/cg_butane.tpr 29271 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/cgbutane.data 3269 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/cgbutane.lmp 15808 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/compare_pv_trace.agr 65909 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/compare_pv_trace.png 12529 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/compare_vol_distro.dat 62849 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/compare_vol_distro.png 318930 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/coul_E.dat 679269 12-08-2016 14:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/distance.xvg 945633 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/enthalpy.dat 457 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/error_pv_trace.dat 597 01-10-2017 19:56 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/error_rg_distro.dat 597 01-10-2017 19:55 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/error_rg_distro.py 597 01-10-2017 19:57 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/error_rg_distro.xvg 588 01-17-2017 20:19 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/error_vol_distro.dat 720536 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/gyrate.xvg 7828 12-08-2016 14:30 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/index.ndx 915623 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/kinetic_E.dat 50578 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/lammps_bond_CT-CT.table 116640 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/lammps_nb_CT-CT.table 2254324 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/log.lammps 0 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/out.dat 71511676 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/outfile.xtc 945582 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/potential_E.dat 930750 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/press.dat 4293425 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/press_tens.dat 1328387 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/pv.dat 314 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/pv_trace.dat 307 12-08-2016 14:31 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/qsub.sh 20067 12-08-2016 14:36 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/rdf_CTCT.xvg 408 01-10-2017 19:56 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/rg_distro.dat 408 01-10-2017 19:55 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/rg_distro.py 408 01-10-2017 19:57 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/rg_distro.xvg 1770604 12-08-2016 14:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/rg_heptane.xvg 210 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/sample_pv_trace.dat 77740 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/state1.restart 77740 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/state2.restart 915530 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/temp.dat 945608 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/vdw_E.dat 915501 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/vol.dat 399 01-17-2017 20:19 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/test_sim/vol_distro.dat 861001 12-07-2016 16:32 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/vol.dat 399 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_XN/vol_distro.dat 0 10-04-2017 14:44 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/ 1114112 12-08-2016 14:30 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/#rg_heptane.xvg.1# 22042 12-08-2016 14:34 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/BUT_pmatch_indiv_analyze.o2266322 399 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/aa_vol_dist.xvg 506 12-08-2016 14:30 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/analyze.sh 318930 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/angle_E.dat 1041 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/block_error_cg_converged_pv_curve.dat 418 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/block_error_pv_trace.dat 1614 12-08-2016 14:30 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/bond_CTCT.xvg 915618 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/bond_E.dat 27956 12-08-2016 14:29 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/cg_butane.tpr 608454 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/cg_converged_pv.dat 726 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/cg_converged_pv_curve.dat 399 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/cg_vol_dist.xvg 29272 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/cgbutane.data 3306 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/cgbutane.lmp 318930 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/coul_E.dat 679288 12-08-2016 14:30 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/distance.xvg 943431 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/enthalpy.dat 1058 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/error_cg_converged_pv_curve.dat 588 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/error_cg_vol_dist.xvg 425 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/error_pv_trace.dat 595 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/error_rg_distro.xvg 588 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/error_vol_distro.dat 750538 01-10-2017 19:52 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/gyrate.xvg 7828 12-08-2016 14:30 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/index.ndx 915762 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/kinetic_E.dat 50580 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/lammps_bond_CT-CT.table 116643 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/lammps_nb_CT-CT.table 2254364 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/log.lammps 0 12-09-2016 11:08 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/out.dat 71502796 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/outfile.xtc 945696 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/potential_E.dat 930629 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/press.dat 4255560 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/press_tens.dat 1328350 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/pv.dat 292 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/pv_trace.dat 309 12-08-2016 14:29 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/qsub.sh 20030 12-08-2016 14:34 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/rdf_CTCT.xvg 406 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/rg_distro.xvg 1770596 12-08-2016 14:30 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/rg_heptane.xvg 483 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/sample_cg_converged_pv_curve.dat 198 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/sample_pv_trace.dat 77740 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/state1.restart 77740 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/state2.restart 915567 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/temp.dat 945600 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/vdw_E.dat 915585 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/vol.dat 77833 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/vol_dist_comp.png 10911 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/vol_dist_comp.xvg 399 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/butane_indiv/vol_distro.dat 0 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/ 679286 12-07-2016 17:07 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/#distance.xvg.1# 1770595 12-07-2016 17:04 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/#gyrate.xvg.1# 1048576 12-07-2016 17:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/#rg_decane.xvg.1# 18 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/AA_g_cnt.dat 0 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/CG_Q.dat 18 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/CG_g_cnt.dat 62383 12-07-2016 17:18 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/DEC_pmatch_XN_analysis.o2264518 42 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/Q.dat 1136554 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/aa_pressures.xvg 399 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/aa_vol_dist.xvg 1112997 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/aa_volumes.xvg 1197 12-07-2016 17:05 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/analyze.sh 2737 12-07-2016 17:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/angle_CTCMCM.xvg 915594 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/angle_E.dat 814 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/block_error_cg_converged_pv_curve.dat 331 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/block_error_pv_trace.dat 2795 12-07-2016 17:07 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/bond_CMCM.xvg 2293 12-07-2016 17:07 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/bond_CTCM.xvg 915563 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/bond_E.dat 608398 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/cg_converged_pv.dat 571 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/cg_converged_pv_curve.dat 930566 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/cg_pressures.dat 399 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/cg_vol_dist.xvg 915613 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/cg_volumes.dat 72967 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/cgdecane.data 3414 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/cgdecane.lmp 632 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/config.ini 318930 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/coul_E.dat 58260 12-07-2016 16:55 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/decane_indiv.tpr 8923 12-07-2016 17:07 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/dih_CTCMCMCT.xvg 679280 12-07-2016 17:07 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/distance.xvg 915579 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/enthalpy.dat 826 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/error_cg_converged_pv_curve.dat 588 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/error_cg_vol_dist.xvg 336 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/error_pv_trace.dat 585 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/error_rg_distro.xvg 588 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/error_vol_distro.dat 18 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/g_cnt.dat 780550 01-10-2017 19:52 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/gyrate.xvg 50817 12-07-2016 16:55 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/index.ndx 103666 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/iterative_improvement.png 21042 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/iterative_improvement.xvg 915570 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/kinetic_E.dat 28205 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/lammps_angle_CT-CM-CM.table 48903 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/lammps_bond_CM-CM.table 49288 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/lammps_bond_CT-CM.table 116143 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/lammps_nb_CM-CM.table 116376 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/lammps_nb_CT-CM.table 116640 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/lammps_nb_CT-CT.table 2254514 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/log.lammps 158 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/log.txt 0 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/out.dat --------- ------- 6631989106 346 files ===================================================== Content of ZIP archive JPCB2017_BOCS_RELEASE-19.zip ===================================================== Archive: JPCB2017_BOCS_RELEASE-19.zip Length Date Time Name --------- ---------- ----- ---- 145050736 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/outfile.xtc 915578 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/potential_E.dat 930632 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/press.dat 4244601 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/press_tens.dat 78 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/psi.dat 1328266 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/pv.dat 232 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/pv_trace.dat 307 12-07-2016 17:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/qsub.sh 24453 12-07-2016 17:18 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/rdf_CMCM.xvg 24478 12-07-2016 17:14 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/rdf_CTCM.xvg 24473 12-07-2016 17:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/rdf_CTCT.xvg 1770598 12-07-2016 17:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/rg_decane.xvg 396 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/rg_distro.xvg 374 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/sample_cg_converged_pv_curve.dat 155 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/sample_pv_trace.dat 176026 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/state1.restart 176026 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/state2.restart 915590 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/temp.dat 945598 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/vdw_E.dat 915498 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/vol.dat 74667 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/vol_dist_comp.png 10893 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/vol_dist_comp.xvg 399 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_XN/vol_distro.dat 0 10-04-2017 14:46 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/ 679281 12-07-2016 17:11 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/#distance.xvg.1# 327680 12-07-2016 17:07 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/#rg_decane.xvg.1# 18 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/AA_g_cnt.dat 0 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/CG_Q.dat 18 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/CG_g_cnt.dat 43 12-07-2016 17:07 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/DEC_pmatch_indiv_analysis.o2264520 62474 12-07-2016 17:22 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/DEC_pmatch_indiv_analysis.o2264524 42 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/Q.dat 1136554 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/aa_pressures.xvg 399 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/aa_vol_dist.xvg 1112997 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/aa_volumes.xvg 1197 12-07-2016 17:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/analyze.sh 2653 12-07-2016 17:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/angle_CTCMCM.xvg 915582 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/angle_E.dat 751 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/block_error_cg_converged_pv_curve.dat 301 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/block_error_pv_trace.dat 2764 12-07-2016 17:11 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/bond_CMCM.xvg 2287 12-07-2016 17:11 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/bond_CTCM.xvg 915659 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/bond_E.dat 608485 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/cg_converged_pv.dat 526 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/cg_converged_pv_curve.dat 930623 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/cg_pressures.dat 399 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/cg_vol_dist.xvg 915599 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/cg_volumes.dat 72967 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/cgdecane.data 3416 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/cgdecane.lmp 640 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/config.ini 318930 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/coul_E.dat 58260 12-07-2016 17:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/decane_indiv.tpr 8919 12-07-2016 17:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/dih_CTCMCMCT.xvg 679293 12-07-2016 17:11 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/distance.xvg 915627 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/enthalpy.dat 763 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/error_cg_converged_pv_curve.dat 588 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/error_cg_vol_dist.xvg 305 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/error_pv_trace.dat 587 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/error_rg_distro.xvg 588 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/error_vol_distro.dat 18 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/g_cnt.dat 780542 01-10-2017 19:52 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/gyrate.xvg 50817 12-07-2016 17:06 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/index.ndx 99466 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/iterative_improvement.png 17658 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/iterative_improvement.xvg 915662 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/kinetic_E.dat 28208 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/lammps_angle_CT-CM-CM.table 48915 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/lammps_bond_CM-CM.table 49283 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/lammps_bond_CT-CM.table 116199 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/lammps_nb_CM-CM.table 116353 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/lammps_nb_CT-CM.table 116502 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/lammps_nb_CT-CT.table 2254514 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/log.lammps 158 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/log.txt 0 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/out.dat 145100008 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/outfile.xtc 915680 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/potential_E.dat 930714 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/press.dat 4244266 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/press_tens.dat 78 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/psi.dat 1328520 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/pv.dat 211 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/pv_trace.dat 310 12-07-2016 17:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/qsub.sh 24487 12-07-2016 17:22 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/rdf_CMCM.xvg 24482 12-07-2016 17:18 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/rdf_CTCM.xvg 24474 12-07-2016 17:14 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/rdf_CTCT.xvg 1770619 12-07-2016 17:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/rg_decane.xvg 398 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/rg_distro.xvg 349 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/sample_cg_converged_pv_curve.dat 144 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/sample_pv_trace.dat 176026 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/state1.restart 176026 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/state2.restart 915697 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/temp.dat 945599 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/vdw_E.dat 915670 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/vol.dat 71427 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/vol_dist_comp.png 10906 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/vol_dist_comp.xvg 399 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/decane_indiv/vol_distro.dat 0 12-08-2016 14:23 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/ 77502 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/XN_decane_PVcurves.png 13731 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/XN_decane_PVcurves.xvg 1770705 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/XN_decane_Rg.xvg 2793 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/XN_decane_angledist_CTCMCM.xvg 4605 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/XN_decane_dihedraldist_CTCMCMCT.xvg 95267 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/XN_heptane_PVcurves.png 13765 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/XN_heptane_PVcurves.xvg 1770722 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/XN_heptane_Rg.xvg 2721 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/XN_heptane_angledist_CTCMCT.xvg 15045 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/butane_FV.xvg 79374 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/comp_decane_angle.png 15144 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/comp_decane_angle.xvg 76350 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/comp_decane_dihedral.png 18111 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/comp_decane_dihedral.xvg 80638 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/comp_heptane_angle.png 15104 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/comp_heptane_angle.xvg 15970 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/heptane_FV.xvg 92533 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_butane_PVcurves.png 14484 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_butane_PVcurves.xvg 1770722 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_butane_Rg.xvg 84044 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_decane_PVcurves.png 13743 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_decane_PVcurves.xvg 1770697 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_decane_Rg.xvg 2714 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_decane_angledist_CTCMCM.xvg 4618 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_decane_dihedraldist_CTCMCMCT.xvg 85346 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_heptane_PVcurves.png 13812 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_heptane_PVcurves.xvg 1770741 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_heptane_Rg.xvg 2686 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/final_analysis/indiv_heptane_angledist_CTCMCT.xvg 0 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/ 655360 12-08-2016 14:34 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/#rg_heptane.xvg.1# 18 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/AA_g_cnt.dat 0 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/CG_Q.dat 18 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/CG_g_cnt.dat 47347 12-08-2016 14:42 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/HEP_pmatch_XN_analyze.o2266327 42 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/Q.dat 1150982 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/aa_pressures.xvg 399 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/aa_vol_dist.xvg 1125487 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/aa_volumes.xvg 1028 12-08-2016 14:34 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/analyze.sh 2633 12-08-2016 14:35 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/angle_CTCMCT.xvg 915623 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/angle_E.dat 331 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/block_error_pv_trace.dat 2305 12-08-2016 14:35 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/bond_CTCM.xvg 915654 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/bond_E.dat 44192 12-08-2016 14:34 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/cg_heptane.tpr 930509 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/cg_pressures.dat 399 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/cg_vol_dist.xvg 915593 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/cg_volumes.dat 50906 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/cgheptane.data 3418 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/cgheptane.lmp 632 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/config.ini 318930 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/coul_E.dat 679286 12-08-2016 14:35 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/distance.xvg 918612 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/enthalpy.dat 588 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/error_cg_vol_dist.xvg 335 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/error_pv_trace.dat 591 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/error_rg_distro.xvg 588 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/error_vol_distro.dat 18 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/g_cnt.dat 750547 01-10-2017 19:53 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/gyrate.xvg 25130 12-08-2016 14:34 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/index.ndx 106484 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/iterative_improvement.png 21023 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/iterative_improvement.xvg 915597 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/kinetic_E.dat 28316 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/lammps_angle_CT-CM-CT.table 49288 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/lammps_bond_CT-CM.table 116143 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/lammps_nb_CM-CM.table 116376 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/lammps_nb_CT-CM.table 116640 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/lammps_nb_CT-CT.table 2254509 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/log.lammps 158 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/log.txt 0 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/out.dat 111886840 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/outfile.xtc 945731 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/potential_E.dat 930549 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/press.dat 4244140 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/press_tens.dat 77 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/psi.dat 1328205 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/pv.dat 232 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/pv_trace.dat 307 12-08-2016 14:34 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/qsub.sh 22263 12-08-2016 14:42 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/rdf_CMCM.xvg 22280 12-08-2016 14:41 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/rdf_CTCM.xvg 22280 12-08-2016 14:39 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/rdf_CTCT.xvg 402 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/rg_distro.xvg 1770611 12-08-2016 14:35 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/rg_heptane.xvg 155 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/sample_pv_trace.dat 126898 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/state1.restart 126898 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/state2.restart 915644 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/temp.dat 581659388 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/trajout.trr 945617 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/vdw_E.dat 915520 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/vol.dat 77129 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/vol_dist_comp.png 10899 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/vol_dist_comp.xvg 399 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_XN/vol_distro.dat 0 01-10-2017 19:54 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/ 786432 12-08-2016 14:33 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/#rg_heptane.xvg.1# 18 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/AA_g_cnt.dat 0 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/CG_Q.dat 18 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/CG_g_cnt.dat 47257 12-08-2016 14:40 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/HEP_pmatch_indiv_analyze.o2266326 42 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/Q.dat 1150982 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/aa_pressures.xvg 399 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/aa_vol_dist.xvg 1125487 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/aa_volumes.xvg 1028 12-08-2016 14:33 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/analyze.sh 2636 12-08-2016 14:34 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/angle_CTCMCT.xvg 915543 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/angle_E.dat 813 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/block_error_cg_converged_pv_curve.dat 332 12-09-2016 11:10 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/block_error_pv_trace.dat 2309 12-08-2016 14:34 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/bond_CTCM.xvg 915624 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/bond_E.dat 608345 12-05-2016 13:58 JPCB2017_BOCS_RELEASE/alkane_XN_production_data/pmatching_results/heptane_indiv/cg_converged_pv.dat 570 12-05-2016 13:58 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JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/cgbutane.data 3266 09-27-2016 16:38 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/cgbutane.lmp 615 09-27-2016 16:44 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/config.ini 18302892 09-27-2016 16:39 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/coul_E.dat 58854824 09-27-2016 16:39 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/enthalpy.dat 18 09-27-2016 16:44 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/g_cnt.dat 56914458 09-27-2016 16:38 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/kinetic_E.dat 50578 09-27-2016 16:39 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/lammps_bond_CT-CT.table 116640 09-27-2016 16:39 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/lammps_nb_CT-CT.table 131072 09-27-2016 16:38 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/log.lammps 158 09-27-2016 16:44 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/log.txt 75 09-27-2016 16:44 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/old_psi.dat 146895 09-27-2016 16:39 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/out.dat 4617338880 09-27-2016 16:39 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/outfile.xtc 155984345 09-27-2016 16:54 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/plot_pv_splot.agr 58856137 09-27-2016 16:38 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/potential_E.dat 57890922 09-27-2016 16:38 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/press.dat 275941305 09-27-2016 16:38 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/press_tens.dat 77 09-27-2016 16:44 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/psi.dat 458 09-30-2016 09:53 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/psi_plot.dat 302 09-27-2016 16:39 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/qsub.sh 77740 09-27-2016 16:39 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/state1.restart 77740 09-27-2016 16:38 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/state2.restart 56915732 09-27-2016 16:38 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/temp.dat 58855328 09-27-2016 16:38 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/vdw_E.dat 56915042 09-27-2016 16:39 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/vol.dat 13174 09-27-2016 16:39 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1/vol_test.dat 0 09-30-2016 09:52 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JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1_from_no_correction/config.ini 588 09-29-2016 09:37 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1_from_no_correction/error_aa_vol_dist.xvg 588 09-29-2016 09:38 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1_from_no_correction/error_vol_dist.dat 18 09-29-2016 09:26 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1_from_no_correction/g_cnt.dat 158 09-29-2016 09:26 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1_from_no_correction/log.txt 875317 09-29-2016 09:23 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1_from_no_correction/press.dat 75 09-29-2016 09:31 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1_from_no_correction/psi.dat 12520 09-30-2016 09:56 JPCB2017_BOCS_RELEASE/non_production_files/evaporating_butane/iter1_from_no_correction/psi_plot.dat 0 09-27-2017 16:31 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2160 05-17-2017 15:01 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/1_1_heptol/cg.1_1_HEP_TOL.top 77 05-17-2017 15:04 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/1_1_heptol/inp.txt 173370 05-17-2017 15:01 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/1_1_heptol/map.1_1_HEP_TOL.top 2440 05-17-2017 15:04 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/1_1_heptol/par.txt 0 05-17-2017 15:11 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/1_4_heptol/ 123205 05-17-2017 15:01 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/1_4_heptol/cg.1_4_HEP_TOL.gro 2406 05-17-2017 15:01 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/1_4_heptol/cg.1_4_HEP_TOL.mdp 62148 05-17-2017 15:01 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/1_4_heptol/cg.1_4_HEP_TOL.ndx 2160 05-17-2017 15:01 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/1_4_heptol/cg.1_4_HEP_TOL.top 77 05-17-2017 15:04 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JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/extended_ensemble/ 239 05-17-2017 15:45 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/extended_ensemble/inp.txt 1338 05-17-2017 16:15 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/extended_ensemble/lammps_tables.sh 2293 05-17-2017 16:14 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/extended_ensemble/make_gmx_table.sh 2675 05-17-2017 15:44 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/coarse_graining/extended_ensemble/par.txt 0 05-17-2017 16:32 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/pressure_matching/ 0 05-18-2017 10:26 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/pressure_matching/iteration_one/ 619 05-18-2017 10:26 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/pressure_matching/iteration_one/config.ini 0 05-18-2017 10:26 JPCB2017_BOCS_RELEASE/tutorials/heptol_xn/pressure_matching/iteration_one/test_sim/ 2982 05-18-2017 10:26 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4278 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/b_struct.Pair_Interaction.total.LJLJ.dat 4278 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/f_struct.Pair_Interaction.total.LJLJ.dat 4278 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/g.Pair_Interaction.total.LJLJ.dat 4278 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/g_cnt.Pair_Interaction.total.LJLJ.dat 897 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/out.total.txt 19 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.FF.dat 3249 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.L.dat 285387 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.M.dat 279414 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.M2.dat 3 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.Nf.dat 3249 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.b_forces.dat 3417 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.b_struct.dat 279414 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.d2M.dat 3249 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.d2b.dat 3341 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.g.dat 3553 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.g_cnt.dat 3553 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/save.rescale.dat 2040 05-01-2017 13:52 JPCB2017_BOCS_RELEASE/tutorials/lj_recovery/results/summarize_input.txt --------- ------- 1742952955 244 files