===================================================== Content of ZIP archive NPT_IBI.zip ===================================================== Archive: NPT_IBI.zip Length Date Time Name --------- ---------- ----- ---- 0 04-28-2019 21:02 NPT_IBI/ 0 04-28-2019 12:56 NPT_IBI/280K/ 4579 04-25-2019 20:19 NPT_IBI/280K/H2O_pmatch_280.o12336846 4760 04-25-2019 20:21 NPT_IBI/280K/H2O_pmatch_280.o12336873 5281 04-25-2019 20:27 NPT_IBI/280K/H2O_pmatch_280.o12336949 7623 04-25-2019 21:05 NPT_IBI/280K/H2O_pmatch_280.o12336962 244751 04-28-2019 12:55 NPT_IBI/280K/U2_smooth.dat 547 04-27-2019 21:22 NPT_IBI/280K/analysis.sh 709 04-25-2019 12:23 NPT_IBI/280K/calc_error.py 2726 04-25-2019 12:23 NPT_IBI/280K/calc_new_potential.py 760 04-25-2019 12:23 NPT_IBI/280K/calc_percenterror.py 55937 04-28-2019 10:54 NPT_IBI/280K/comp_potentials.png 1182012 04-28-2019 10:54 NPT_IBI/280K/comp_potentials.xvg 146016 04-25-2019 12:30 NPT_IBI/280K/conf.gro 1789 04-28-2019 12:55 NPT_IBI/280K/gen_table.py 2252 04-25-2019 12:24 NPT_IBI/280K/grompp.mdp 44870 04-25-2019 12:25 NPT_IBI/280K/index.ndx 0 04-25-2019 21:10 NPT_IBI/280K/iter0/ 22158 04-25-2019 19:25 NPT_IBI/280K/iter0/#rdf_0.xvg.1# 0 04-25-2019 16:10 NPT_IBI/280K/iter0/H2O_pmatch_280.o12329869 18929 04-25-2019 18:47 NPT_IBI/280K/iter0/angle_E.dat 18929 04-25-2019 18:47 NPT_IBI/280K/iter0/bond_E.dat 101252 04-25-2019 12:44 NPT_IBI/280K/iter0/cg_spce_water.data 3302 04-25-2019 12:49 NPT_IBI/280K/iter0/cg_spce_water.lmp 18929 04-25-2019 18:47 NPT_IBI/280K/iter0/coul_E.dat 59435 04-25-2019 18:47 NPT_IBI/280K/iter0/enthalpy.dat 58728 04-25-2019 18:47 NPT_IBI/280K/iter0/kinetic_E.dat 480998 04-25-2019 12:46 NPT_IBI/280K/iter0/lammps_nb_CA-CA.table 154338 04-25-2019 18:47 NPT_IBI/280K/iter0/log.lammps 154623 04-25-2019 18:47 NPT_IBI/280K/iter0/out.dat 20517256 04-25-2019 18:47 NPT_IBI/280K/iter0/outfile.xtc 60706 04-25-2019 18:47 NPT_IBI/280K/iter0/potential_E.dat 60682 04-25-2019 18:47 NPT_IBI/280K/iter0/press.dat 280607 04-25-2019 18:47 NPT_IBI/280K/iter0/press_tens.dat 303 04-25-2019 12:49 NPT_IBI/280K/iter0/qsub.sh 87409 04-25-2019 21:10 NPT_IBI/280K/iter0/rdf_0.xvg 288490 04-25-2019 18:47 NPT_IBI/280K/iter0/state1.restart 288490 04-25-2019 18:47 NPT_IBI/280K/iter0/state2.restart 1175459 04-25-2019 19:26 NPT_IBI/280K/iter0/table_CA_CA.xvg 58728 04-25-2019 18:47 NPT_IBI/280K/iter0/temp.dat 60706 04-25-2019 18:47 NPT_IBI/280K/iter0/vdw_E.dat 58699 04-25-2019 18:47 NPT_IBI/280K/iter0/vol.dat 0 04-26-2019 10:24 NPT_IBI/280K/iter1/ 0 04-26-2019 07:47 NPT_IBI/280K/iter1/H2O_pmatch_280.o12337199 18929 04-26-2019 10:17 NPT_IBI/280K/iter1/angle_E.dat 18929 04-26-2019 10:17 NPT_IBI/280K/iter1/bond_E.dat 101252 04-25-2019 21:13 NPT_IBI/280K/iter1/cg_spce_water.data 3302 04-25-2019 21:13 NPT_IBI/280K/iter1/cg_spce_water.lmp 18929 04-26-2019 10:17 NPT_IBI/280K/iter1/coul_E.dat 59043 04-26-2019 10:17 NPT_IBI/280K/iter1/enthalpy.dat 58700 04-26-2019 10:17 NPT_IBI/280K/iter1/kinetic_E.dat 481147 04-25-2019 21:13 NPT_IBI/280K/iter1/lammps_nb_CA-CA.table 154338 04-26-2019 10:17 NPT_IBI/280K/iter1/log.lammps 154650 04-26-2019 10:17 NPT_IBI/280K/iter1/out.dat 20511764 04-26-2019 10:17 NPT_IBI/280K/iter1/outfile.xtc 60710 04-26-2019 10:17 NPT_IBI/280K/iter1/potential_E.dat 60501 04-26-2019 10:17 NPT_IBI/280K/iter1/press.dat 280592 04-26-2019 10:17 NPT_IBI/280K/iter1/press_tens.dat 303 04-25-2019 21:13 NPT_IBI/280K/iter1/qsub.sh 87424 04-26-2019 10:24 NPT_IBI/280K/iter1/rdf_1.xvg 288490 04-26-2019 10:16 NPT_IBI/280K/iter1/state1.restart 288490 04-26-2019 10:17 NPT_IBI/280K/iter1/state2.restart 1175612 04-25-2019 21:13 NPT_IBI/280K/iter1/table_CA_CA.xvg 58688 04-26-2019 10:17 NPT_IBI/280K/iter1/temp.dat 60710 04-26-2019 10:17 NPT_IBI/280K/iter1/vdw_E.dat 58722 04-26-2019 10:17 NPT_IBI/280K/iter1/vol.dat 0 04-26-2019 16:41 NPT_IBI/280K/iter2/ 0 04-26-2019 13:24 NPT_IBI/280K/iter2/H2O_pmatch_280.o12339258 18929 04-26-2019 15:04 NPT_IBI/280K/iter2/angle_E.dat 18929 04-26-2019 15:04 NPT_IBI/280K/iter2/bond_E.dat 101252 04-26-2019 10:24 NPT_IBI/280K/iter2/cg_spce_water.data 3302 04-26-2019 10:24 NPT_IBI/280K/iter2/cg_spce_water.lmp 18929 04-26-2019 15:04 NPT_IBI/280K/iter2/coul_E.dat 59314 04-26-2019 15:04 NPT_IBI/280K/iter2/enthalpy.dat 58730 04-26-2019 15:04 NPT_IBI/280K/iter2/kinetic_E.dat 480931 04-26-2019 10:24 NPT_IBI/280K/iter2/lammps_nb_CA-CA.table 154340 04-26-2019 15:04 NPT_IBI/280K/iter2/log.lammps 157426 04-26-2019 15:04 NPT_IBI/280K/iter2/out.dat 20518536 04-26-2019 15:04 NPT_IBI/280K/iter2/outfile.xtc 60699 04-26-2019 15:04 NPT_IBI/280K/iter2/potential_E.dat 60289 04-26-2019 15:04 NPT_IBI/280K/iter2/press.dat 280654 04-26-2019 15:04 NPT_IBI/280K/iter2/press_tens.dat 304 04-26-2019 10:24 NPT_IBI/280K/iter2/qsub.sh 87436 04-26-2019 16:41 NPT_IBI/280K/iter2/rdf_2.xvg 288522 04-26-2019 15:03 NPT_IBI/280K/iter2/state1.restart 288522 04-26-2019 15:04 NPT_IBI/280K/iter2/state2.restart 1175395 04-26-2019 10:24 NPT_IBI/280K/iter2/table_CA_CA.xvg 58712 04-26-2019 15:04 NPT_IBI/280K/iter2/temp.dat 60699 04-26-2019 15:04 NPT_IBI/280K/iter2/vdw_E.dat 58709 04-26-2019 15:04 NPT_IBI/280K/iter2/vol.dat 0 04-27-2019 18:45 NPT_IBI/280K/iter3/ 0 04-26-2019 17:01 NPT_IBI/280K/iter3/H2O_pmatch_280.o12345178 18929 04-26-2019 18:32 NPT_IBI/280K/iter3/angle_E.dat 18929 04-26-2019 18:32 NPT_IBI/280K/iter3/bond_E.dat 101252 04-26-2019 16:41 NPT_IBI/280K/iter3/cg_spce_water.data 3302 04-26-2019 16:41 NPT_IBI/280K/iter3/cg_spce_water.lmp 18929 04-26-2019 18:32 NPT_IBI/280K/iter3/coul_E.dat 59273 04-26-2019 18:32 NPT_IBI/280K/iter3/enthalpy.dat 58689 04-26-2019 18:32 NPT_IBI/280K/iter3/kinetic_E.dat 481060 04-26-2019 16:41 NPT_IBI/280K/iter3/lammps_nb_CA-CA.table 154340 04-26-2019 18:32 NPT_IBI/280K/iter3/log.lammps 164791 04-26-2019 18:32 NPT_IBI/280K/iter3/out.dat 20545000 04-26-2019 18:32 NPT_IBI/280K/iter3/outfile.xtc 60705 04-26-2019 18:32 NPT_IBI/280K/iter3/potential_E.dat 60212 04-26-2019 18:32 NPT_IBI/280K/iter3/press.dat 280633 04-26-2019 18:32 NPT_IBI/280K/iter3/press_tens.dat 304 04-26-2019 16:41 NPT_IBI/280K/iter3/qsub.sh 87431 04-27-2019 18:45 NPT_IBI/280K/iter3/rdf_3.xvg 288522 04-26-2019 18:32 NPT_IBI/280K/iter3/state1.restart 288522 04-26-2019 18:32 NPT_IBI/280K/iter3/state2.restart 1175526 04-26-2019 16:41 NPT_IBI/280K/iter3/table_CA_CA.xvg 58711 04-26-2019 18:32 NPT_IBI/280K/iter3/temp.dat 60705 04-26-2019 18:32 NPT_IBI/280K/iter3/vdw_E.dat 58695 04-26-2019 18:32 NPT_IBI/280K/iter3/vol.dat 0 04-28-2019 21:02 NPT_IBI/280K/iter4/ 399 04-28-2019 21:02 NPT_IBI/280K/iter4/CG_vol_dist.xvg 2418 04-27-2019 18:48 NPT_IBI/280K/iter4/H2O_pmatch_280.o12352139 18929 04-27-2019 20:23 NPT_IBI/280K/iter4/angle_E.dat 18929 04-27-2019 20:23 NPT_IBI/280K/iter4/bond_E.dat 101252 04-27-2019 18:45 NPT_IBI/280K/iter4/cg_spce_water.data 3302 04-27-2019 18:45 NPT_IBI/280K/iter4/cg_spce_water.lmp 18929 04-27-2019 20:23 NPT_IBI/280K/iter4/coul_E.dat 59357 04-27-2019 20:23 NPT_IBI/280K/iter4/enthalpy.dat 588 04-28-2019 21:02 NPT_IBI/280K/iter4/error_CG_vol_dist.xvg 58712 04-27-2019 20:23 NPT_IBI/280K/iter4/kinetic_E.dat 480929 04-27-2019 18:45 NPT_IBI/280K/iter4/lammps_nb_CA-CA.table 154339 04-27-2019 20:23 NPT_IBI/280K/iter4/log.lammps 160588 04-27-2019 20:23 NPT_IBI/280K/iter4/out.dat 20544028 04-27-2019 20:23 NPT_IBI/280K/iter4/outfile.xtc 60728 04-27-2019 20:23 NPT_IBI/280K/iter4/potential_E.dat 60123 04-27-2019 20:23 NPT_IBI/280K/iter4/press.dat 280762 04-27-2019 20:23 NPT_IBI/280K/iter4/press_tens.dat 304 04-27-2019 18:45 NPT_IBI/280K/iter4/qsub.sh 87417 04-28-2019 02:20 NPT_IBI/280K/iter4/rdf_4.xvg 288522 04-27-2019 20:23 NPT_IBI/280K/iter4/state1.restart 288522 04-27-2019 20:23 NPT_IBI/280K/iter4/state2.restart 1175395 04-27-2019 18:45 NPT_IBI/280K/iter4/table_CA_CA.xvg 58699 04-27-2019 20:23 NPT_IBI/280K/iter4/temp.dat 60728 04-27-2019 20:23 NPT_IBI/280K/iter4/vdw_E.dat 58731 04-27-2019 20:23 NPT_IBI/280K/iter4/vol.dat 349534 04-28-2019 10:23 NPT_IBI/280K/iterative_improvement.xvg 480929 04-28-2019 10:24 NPT_IBI/280K/lammps_nb_CA-CA.table 414 04-25-2019 20:28 NPT_IBI/280K/qsub.sh 55805 04-25-2019 21:06 NPT_IBI/280K/rdf_ref.dat 87633 04-25-2019 21:05 NPT_IBI/280K/rdf_ref.xvg 1175329 04-28-2019 12:56 NPT_IBI/280K/table.xvg 1175395 04-28-2019 10:24 NPT_IBI/280K/table_CA_CA.xvg 1175459 04-25-2019 12:21 NPT_IBI/280K/table_init.xvg 628 04-25-2019 12:26 NPT_IBI/280K/topol.top 1345 04-25-2019 12:42 NPT_IBI/280K/translate_table.py 0 04-28-2019 12:56 NPT_IBI/290K/ 4824 04-25-2019 20:18 NPT_IBI/290K/H2O_pmatch_290.o12336840 7525 04-25-2019 20:57 NPT_IBI/290K/H2O_pmatch_290.o12336868 228756 04-28-2019 12:54 NPT_IBI/290K/U2_smooth.dat 547 04-28-2019 00:14 NPT_IBI/290K/analysis.sh 709 04-25-2019 12:23 NPT_IBI/290K/calc_error.py 2726 04-25-2019 12:32 NPT_IBI/290K/calc_new_potential.py 760 04-25-2019 12:23 NPT_IBI/290K/calc_percenterror.py 914592 04-28-2019 10:57 NPT_IBI/290K/comp_potentials.xvg 146016 04-25-2019 12:31 NPT_IBI/290K/conf.gro 1789 04-28-2019 12:56 NPT_IBI/290K/gen_table.py 2252 04-25-2019 12:32 NPT_IBI/290K/grompp.mdp 44870 04-25-2019 12:25 NPT_IBI/290K/index.ndx 0 04-25-2019 21:04 NPT_IBI/290K/iter0/ 22127 04-25-2019 19:20 NPT_IBI/290K/iter0/#rdf_0.xvg.1# 0 04-25-2019 16:10 NPT_IBI/290K/iter0/H2O_pmatch_290.o12329854 18929 04-25-2019 18:53 NPT_IBI/290K/iter0/angle_E.dat 18929 04-25-2019 18:53 NPT_IBI/290K/iter0/bond_E.dat 101255 04-25-2019 12:45 NPT_IBI/290K/iter0/cg_spce_water.data 3302 04-25-2019 12:50 NPT_IBI/290K/iter0/cg_spce_water.lmp 18929 04-25-2019 18:53 NPT_IBI/290K/iter0/coul_E.dat 59279 04-25-2019 18:53 NPT_IBI/290K/iter0/enthalpy.dat 58697 04-25-2019 18:53 NPT_IBI/290K/iter0/kinetic_E.dat 472895 04-25-2019 12:45 NPT_IBI/290K/iter0/lammps_nb_CA-CA.table 154337 04-25-2019 18:53 NPT_IBI/290K/iter0/log.lammps 154623 04-25-2019 18:53 NPT_IBI/290K/iter0/out.dat 20515608 04-25-2019 18:53 NPT_IBI/290K/iter0/outfile.xtc 60705 04-25-2019 18:53 NPT_IBI/290K/iter0/potential_E.dat 60629 04-25-2019 18:53 NPT_IBI/290K/iter0/press.dat 280634 04-25-2019 18:53 NPT_IBI/290K/iter0/press_tens.dat 303 04-25-2019 12:50 NPT_IBI/290K/iter0/qsub.sh 87250 04-25-2019 21:04 NPT_IBI/290K/iter0/rdf_0.xvg 288490 04-25-2019 18:53 NPT_IBI/290K/iter0/state1.restart 288490 04-25-2019 18:53 NPT_IBI/290K/iter0/state2.restart 1167340 04-25-2019 19:17 NPT_IBI/290K/iter0/table_CA_CA.xvg 58702 04-25-2019 18:53 NPT_IBI/290K/iter0/temp.dat 60705 04-25-2019 18:53 NPT_IBI/290K/iter0/vdw_E.dat 58717 04-25-2019 18:53 NPT_IBI/290K/iter0/vol.dat 0 04-26-2019 08:05 NPT_IBI/290K/iter1/ 0 04-26-2019 05:20 NPT_IBI/290K/iter1/H2O_pmatch_290.o12337197 18929 04-26-2019 07:56 NPT_IBI/290K/iter1/angle_E.dat 18929 04-26-2019 07:56 NPT_IBI/290K/iter1/bond_E.dat 101255 04-25-2019 21:12 NPT_IBI/290K/iter1/cg_spce_water.data 3302 04-25-2019 21:12 NPT_IBI/290K/iter1/cg_spce_water.lmp 18929 04-26-2019 07:56 NPT_IBI/290K/iter1/coul_E.dat 58901 04-26-2019 07:56 NPT_IBI/290K/iter1/enthalpy.dat 58709 04-26-2019 07:56 NPT_IBI/290K/iter1/kinetic_E.dat 473102 04-25-2019 21:12 NPT_IBI/290K/iter1/lammps_nb_CA-CA.table 154339 04-26-2019 07:56 NPT_IBI/290K/iter1/log.lammps 154625 04-26-2019 07:56 NPT_IBI/290K/iter1/out.dat 20513532 04-26-2019 07:56 NPT_IBI/290K/iter1/outfile.xtc 60739 04-26-2019 07:56 NPT_IBI/290K/iter1/potential_E.dat 60347 04-26-2019 07:56 NPT_IBI/290K/iter1/press.dat 280569 04-26-2019 07:56 NPT_IBI/290K/iter1/press_tens.dat 303 04-25-2019 21:12 NPT_IBI/290K/iter1/qsub.sh 87243 04-26-2019 08:05 NPT_IBI/290K/iter1/rdf_1.xvg 288490 04-26-2019 07:55 NPT_IBI/290K/iter1/state1.restart 288490 04-26-2019 07:56 NPT_IBI/290K/iter1/state2.restart 1167550 04-25-2019 21:12 NPT_IBI/290K/iter1/table_CA_CA.xvg 58654 04-26-2019 07:56 NPT_IBI/290K/iter1/temp.dat 60739 04-26-2019 07:56 NPT_IBI/290K/iter1/vdw_E.dat 58713 04-26-2019 07:56 NPT_IBI/290K/iter1/vol.dat 0 04-26-2019 16:34 NPT_IBI/290K/iter2/ 2418 04-26-2019 13:23 NPT_IBI/290K/iter2/H2O_pmatch_290.o12338281 18929 04-26-2019 15:05 NPT_IBI/290K/iter2/angle_E.dat 18929 04-26-2019 15:05 NPT_IBI/290K/iter2/bond_E.dat 101255 04-26-2019 08:05 NPT_IBI/290K/iter2/cg_spce_water.data 3302 04-26-2019 08:05 NPT_IBI/290K/iter2/cg_spce_water.lmp 18929 04-26-2019 15:05 NPT_IBI/290K/iter2/coul_E.dat 59189 04-26-2019 15:05 NPT_IBI/290K/iter2/enthalpy.dat 58725 04-26-2019 15:05 NPT_IBI/290K/iter2/kinetic_E.dat 472888 04-26-2019 08:05 NPT_IBI/290K/iter2/lammps_nb_CA-CA.table 154339 04-26-2019 15:05 NPT_IBI/290K/iter2/log.lammps 160638 04-26-2019 15:05 NPT_IBI/290K/iter2/out.dat 20510616 04-26-2019 15:05 NPT_IBI/290K/iter2/outfile.xtc 60718 04-26-2019 15:05 NPT_IBI/290K/iter2/potential_E.dat 60208 04-26-2019 15:05 NPT_IBI/290K/iter2/press.dat 280677 04-26-2019 15:05 NPT_IBI/290K/iter2/press_tens.dat 304 04-26-2019 08:10 NPT_IBI/290K/iter2/qsub.sh 87258 04-26-2019 16:34 NPT_IBI/290K/iter2/rdf_2.xvg 288522 04-26-2019 15:05 NPT_IBI/290K/iter2/state1.restart 288522 04-26-2019 15:05 NPT_IBI/290K/iter2/state2.restart 1167335 04-26-2019 08:05 NPT_IBI/290K/iter2/table_CA_CA.xvg 58743 04-26-2019 15:05 NPT_IBI/290K/iter2/temp.dat 60718 04-26-2019 15:05 NPT_IBI/290K/iter2/vdw_E.dat 58702 04-26-2019 15:05 NPT_IBI/290K/iter2/vol.dat 0 04-28-2019 21:02 NPT_IBI/290K/iter3/ 399 04-28-2019 21:02 NPT_IBI/290K/iter3/CG_vol_dist.xvg 0 04-26-2019 16:38 NPT_IBI/290K/iter3/H2O_pmatch_290.o12344959 18929 04-26-2019 18:18 NPT_IBI/290K/iter3/angle_E.dat 18929 04-26-2019 18:18 NPT_IBI/290K/iter3/bond_E.dat 101255 04-26-2019 16:34 NPT_IBI/290K/iter3/cg_spce_water.data 3302 04-26-2019 16:34 NPT_IBI/290K/iter3/cg_spce_water.lmp 18929 04-26-2019 18:18 NPT_IBI/290K/iter3/coul_E.dat 59154 04-26-2019 18:18 NPT_IBI/290K/iter3/enthalpy.dat 588 04-28-2019 21:02 NPT_IBI/290K/iter3/error_CG_vol_dist.xvg 58717 04-26-2019 18:18 NPT_IBI/290K/iter3/kinetic_E.dat 473035 04-26-2019 16:34 NPT_IBI/290K/iter3/lammps_nb_CA-CA.table 154340 04-26-2019 18:18 NPT_IBI/290K/iter3/log.lammps 157427 04-26-2019 18:18 NPT_IBI/290K/iter3/out.dat 20517860 04-26-2019 18:18 NPT_IBI/290K/iter3/outfile.xtc 60732 04-26-2019 18:18 NPT_IBI/290K/iter3/potential_E.dat 60103 04-26-2019 18:18 NPT_IBI/290K/iter3/press.dat 280640 04-26-2019 18:18 NPT_IBI/290K/iter3/press_tens.dat 304 04-26-2019 16:34 NPT_IBI/290K/iter3/qsub.sh 87234 04-27-2019 21:45 NPT_IBI/290K/iter3/rdf_3.xvg 288522 04-26-2019 18:17 NPT_IBI/290K/iter3/state1.restart 288522 04-26-2019 18:18 NPT_IBI/290K/iter3/state2.restart 1167477 04-26-2019 16:34 NPT_IBI/290K/iter3/table_CA_CA.xvg 58710 04-26-2019 18:18 NPT_IBI/290K/iter3/temp.dat 60732 04-26-2019 18:18 NPT_IBI/290K/iter3/vdw_E.dat 58715 04-26-2019 18:18 NPT_IBI/290K/iter3/vol.dat 0 04-28-2019 04:43 NPT_IBI/290K/iter4/ 2418 04-27-2019 21:47 NPT_IBI/290K/iter4/H2O_pmatch_290.o12353603 18929 04-27-2019 23:27 NPT_IBI/290K/iter4/angle_E.dat 18929 04-27-2019 23:27 NPT_IBI/290K/iter4/bond_E.dat 101255 04-27-2019 21:45 NPT_IBI/290K/iter4/cg_spce_water.data 3302 04-27-2019 21:45 NPT_IBI/290K/iter4/cg_spce_water.lmp 18929 04-27-2019 23:27 NPT_IBI/290K/iter4/coul_E.dat 59278 04-27-2019 23:27 NPT_IBI/290K/iter4/enthalpy.dat 58716 04-27-2019 23:27 NPT_IBI/290K/iter4/kinetic_E.dat 472884 04-27-2019 21:45 NPT_IBI/290K/iter4/lammps_nb_CA-CA.table 154340 04-27-2019 23:27 NPT_IBI/290K/iter4/log.lammps 160638 04-27-2019 23:27 NPT_IBI/290K/iter4/out.dat 20519272 04-27-2019 23:27 NPT_IBI/290K/iter4/outfile.xtc 60701 04-27-2019 23:27 NPT_IBI/290K/iter4/potential_E.dat 60044 04-27-2019 23:27 NPT_IBI/290K/iter4/press.dat 280656 04-27-2019 23:27 NPT_IBI/290K/iter4/press_tens.dat 304 04-27-2019 21:45 NPT_IBI/290K/iter4/qsub.sh 87232 04-28-2019 04:43 NPT_IBI/290K/iter4/rdf_4.xvg 288522 04-27-2019 23:26 NPT_IBI/290K/iter4/state1.restart 288522 04-27-2019 23:27 NPT_IBI/290K/iter4/state2.restart 1167328 04-27-2019 21:45 NPT_IBI/290K/iter4/table_CA_CA.xvg 58720 04-27-2019 23:27 NPT_IBI/290K/iter4/temp.dat 60701 04-27-2019 23:27 NPT_IBI/290K/iter4/vdw_E.dat 58725 04-27-2019 23:27 NPT_IBI/290K/iter4/vol.dat 349188 04-28-2019 10:21 NPT_IBI/290K/iterative_improvement.xvg 473035 04-28-2019 10:22 NPT_IBI/290K/lammps_nb_CA-CA.table 414 04-25-2019 20:20 NPT_IBI/290K/qsub.sh 55964 04-25-2019 20:59 NPT_IBI/290K/rdf_ref.dat 87802 04-25-2019 20:57 NPT_IBI/290K/rdf_ref.xvg 1167476 04-28-2019 12:56 NPT_IBI/290K/table.xvg 1167477 04-28-2019 10:22 NPT_IBI/290K/table_CA_CA.xvg 1167340 04-25-2019 12:21 NPT_IBI/290K/table_init.xvg 628 04-25-2019 12:26 NPT_IBI/290K/topol.top 1345 04-25-2019 12:42 NPT_IBI/290K/translate_table.py 0 04-28-2019 12:56 NPT_IBI/300K/ 4794 04-25-2019 20:17 NPT_IBI/300K/H2O_pmatch_300.o12336829 7516 04-25-2019 20:56 NPT_IBI/300K/H2O_pmatch_300.o12336865 245352 04-28-2019 12:54 NPT_IBI/300K/U2_smooth.dat 547 04-27-2019 16:42 NPT_IBI/300K/analysis.sh 709 04-25-2019 12:23 NPT_IBI/300K/calc_error.py 2726 04-25-2019 12:32 NPT_IBI/300K/calc_new_potential.py 760 04-25-2019 12:23 NPT_IBI/300K/calc_percenterror.py 948485 04-28-2019 11:00 NPT_IBI/300K/comp_potentials.xvg 146016 04-25-2019 12:31 NPT_IBI/300K/conf.gro 1789 04-28-2019 12:56 NPT_IBI/300K/gen_table.py 2252 04-25-2019 12:31 NPT_IBI/300K/grompp.mdp 44870 04-25-2019 12:25 NPT_IBI/300K/index.ndx 0 04-25-2019 21:04 NPT_IBI/300K/iter0/ 22121 04-25-2019 19:16 NPT_IBI/300K/iter0/#rdf_0.xvg.1# 0 04-25-2019 15:59 NPT_IBI/300K/iter0/H2O_pmatch_300.o12329843 18929 04-25-2019 18:40 NPT_IBI/300K/iter0/angle_E.dat 18929 04-25-2019 18:40 NPT_IBI/300K/iter0/bond_E.dat 101255 04-25-2019 12:45 NPT_IBI/300K/iter0/cg_spce_water.data 101255 04-25-2019 21:11 NPT_IBI/300K/iter0/cg_spce_water.lmp 18929 04-25-2019 18:40 NPT_IBI/300K/iter0/coul_E.dat 59067 04-25-2019 18:40 NPT_IBI/300K/iter0/enthalpy.dat 58694 04-25-2019 18:40 NPT_IBI/300K/iter0/kinetic_E.dat 480549 04-25-2019 12:46 NPT_IBI/300K/iter0/lammps_nb_CA-CA.table 154337 04-25-2019 18:40 NPT_IBI/300K/iter0/log.lammps 154623 04-25-2019 18:40 NPT_IBI/300K/iter0/out.dat 20520728 04-25-2019 18:40 NPT_IBI/300K/iter0/outfile.xtc 60684 04-25-2019 18:40 NPT_IBI/300K/iter0/potential_E.dat 60633 04-25-2019 18:40 NPT_IBI/300K/iter0/press.dat 280616 04-25-2019 18:40 NPT_IBI/300K/iter0/press_tens.dat 303 04-25-2019 12:50 NPT_IBI/300K/iter0/qsub.sh 87239 04-25-2019 21:04 NPT_IBI/300K/iter0/rdf_0.xvg 288490 04-25-2019 18:39 NPT_IBI/300K/iter0/state1.restart 288490 04-25-2019 18:40 NPT_IBI/300K/iter0/state2.restart 1175544 04-25-2019 19:12 NPT_IBI/300K/iter0/table_CA_CA.xvg 58714 04-25-2019 18:40 NPT_IBI/300K/iter0/temp.dat 60684 04-25-2019 18:40 NPT_IBI/300K/iter0/vdw_E.dat 58738 04-25-2019 18:40 NPT_IBI/300K/iter0/vol.dat 0 04-26-2019 08:04 NPT_IBI/300K/iter1/ 0 04-26-2019 05:15 NPT_IBI/300K/iter1/H2O_pmatch_300.o12337173 18929 04-26-2019 07:46 NPT_IBI/300K/iter1/angle_E.dat 18929 04-26-2019 07:46 NPT_IBI/300K/iter1/bond_E.dat 101255 04-25-2019 21:04 NPT_IBI/300K/iter1/cg_spce_water.data 3302 04-25-2019 21:04 NPT_IBI/300K/iter1/cg_spce_water.lmp 18929 04-26-2019 07:46 NPT_IBI/300K/iter1/coul_E.dat 59104 04-26-2019 07:46 NPT_IBI/300K/iter1/enthalpy.dat 58715 04-26-2019 07:46 NPT_IBI/300K/iter1/kinetic_E.dat 480628 04-25-2019 21:11 NPT_IBI/300K/iter1/lammps_nb_CA-CA.table 154338 04-26-2019 07:46 NPT_IBI/300K/iter1/log.lammps 154624 04-26-2019 07:46 NPT_IBI/300K/iter1/out.dat 20515460 04-26-2019 07:46 NPT_IBI/300K/iter1/outfile.xtc 60700 04-26-2019 07:46 NPT_IBI/300K/iter1/potential_E.dat 60307 04-26-2019 07:46 NPT_IBI/300K/iter1/press.dat 280651 04-26-2019 07:46 NPT_IBI/300K/iter1/press_tens.dat 303 04-25-2019 21:11 NPT_IBI/300K/iter1/qsub.sh 87238 04-26-2019 08:04 NPT_IBI/300K/iter1/rdf_1.xvg 288490 04-26-2019 07:45 NPT_IBI/300K/iter1/state1.restart 288490 04-26-2019 07:46 NPT_IBI/300K/iter1/state2.restart 1175624 04-25-2019 21:11 NPT_IBI/300K/iter1/table_CA_CA.xvg 58694 04-26-2019 07:46 NPT_IBI/300K/iter1/temp.dat 60700 04-26-2019 07:46 NPT_IBI/300K/iter1/vdw_E.dat 58713 04-26-2019 07:46 NPT_IBI/300K/iter1/vol.dat 0 04-26-2019 16:25 NPT_IBI/300K/iter2/ 2418 04-26-2019 13:23 NPT_IBI/300K/iter2/H2O_pmatch_300.o12338280 18929 04-26-2019 14:59 NPT_IBI/300K/iter2/angle_E.dat 18929 04-26-2019 14:59 NPT_IBI/300K/iter2/bond_E.dat 101255 04-26-2019 08:04 NPT_IBI/300K/iter2/cg_spce_water.data 3302 04-26-2019 08:04 NPT_IBI/300K/iter2/cg_spce_water.lmp 18929 04-26-2019 14:59 NPT_IBI/300K/iter2/coul_E.dat 59257 04-26-2019 14:59 NPT_IBI/300K/iter2/enthalpy.dat 58702 04-26-2019 14:59 NPT_IBI/300K/iter2/kinetic_E.dat 480500 04-26-2019 08:04 NPT_IBI/300K/iter2/lammps_nb_CA-CA.table 154337 04-26-2019 14:59 NPT_IBI/300K/iter2/log.lammps 160636 04-26-2019 14:59 NPT_IBI/300K/iter2/out.dat 20524724 04-26-2019 14:59 NPT_IBI/300K/iter2/outfile.xtc 60700 04-26-2019 14:59 NPT_IBI/300K/iter2/potential_E.dat 60123 04-26-2019 14:59 NPT_IBI/300K/iter2/press.dat 280692 04-26-2019 14:59 NPT_IBI/300K/iter2/press_tens.dat 304 04-26-2019 08:09 NPT_IBI/300K/iter2/qsub.sh 87240 04-26-2019 16:25 NPT_IBI/300K/iter2/rdf_2.xvg 288522 04-26-2019 14:59 NPT_IBI/300K/iter2/state1.restart 288522 04-26-2019 14:59 NPT_IBI/300K/iter2/state2.restart 1175496 04-26-2019 08:04 NPT_IBI/300K/iter2/table_CA_CA.xvg 58737 04-26-2019 14:59 NPT_IBI/300K/iter2/temp.dat 60700 04-26-2019 14:59 NPT_IBI/300K/iter2/vdw_E.dat 58669 04-26-2019 14:59 NPT_IBI/300K/iter2/vol.dat 0 04-28-2019 21:02 NPT_IBI/300K/iter3/ 399 04-28-2019 21:02 NPT_IBI/300K/iter3/CG_vol_dist.xvg 0 04-26-2019 16:31 NPT_IBI/300K/iter3/H2O_pmatch_300.o12344931 18929 04-26-2019 18:00 NPT_IBI/300K/iter3/angle_E.dat 18929 04-26-2019 18:00 NPT_IBI/300K/iter3/bond_E.dat 101255 04-26-2019 16:25 NPT_IBI/300K/iter3/cg_spce_water.data 3302 04-26-2019 16:25 NPT_IBI/300K/iter3/cg_spce_water.lmp 18929 04-26-2019 18:00 NPT_IBI/300K/iter3/coul_E.dat 59266 04-26-2019 18:00 NPT_IBI/300K/iter3/enthalpy.dat 588 04-28-2019 21:02 NPT_IBI/300K/iter3/error_CG_vol_dist.xvg 58714 04-26-2019 18:00 NPT_IBI/300K/iter3/kinetic_E.dat 480553 04-26-2019 16:25 NPT_IBI/300K/iter3/lammps_nb_CA-CA.table 154337 04-26-2019 18:00 NPT_IBI/300K/iter3/log.lammps 164788 04-26-2019 18:00 NPT_IBI/300K/iter3/out.dat 20543884 04-26-2019 18:00 NPT_IBI/300K/iter3/outfile.xtc 60683 04-26-2019 18:00 NPT_IBI/300K/iter3/potential_E.dat 60035 04-26-2019 18:00 NPT_IBI/300K/iter3/press.dat 280671 04-26-2019 18:00 NPT_IBI/300K/iter3/press_tens.dat 304 04-26-2019 16:25 NPT_IBI/300K/iter3/qsub.sh 87240 04-27-2019 21:46 NPT_IBI/300K/iter3/rdf_3.xvg 288522 04-26-2019 18:00 NPT_IBI/300K/iter3/state1.restart 288522 04-26-2019 18:00 NPT_IBI/300K/iter3/state2.restart 1175549 04-26-2019 16:25 NPT_IBI/300K/iter3/table_CA_CA.xvg 58697 04-26-2019 18:00 NPT_IBI/300K/iter3/temp.dat 60683 04-26-2019 18:00 NPT_IBI/300K/iter3/vdw_E.dat 58711 04-26-2019 18:00 NPT_IBI/300K/iter3/vol.dat 292009 04-27-2019 21:48 NPT_IBI/300K/iterative_improvement.xvg 480553 04-27-2019 21:48 NPT_IBI/300K/lammps_nb_CA-CA.table 415 04-25-2019 20:19 NPT_IBI/300K/qsub.sh 55975 04-25-2019 20:59 NPT_IBI/300K/rdf_ref.dat 87896 04-25-2019 20:56 NPT_IBI/300K/rdf_ref.xvg 1175560 04-28-2019 12:56 NPT_IBI/300K/table.xvg 1175549 04-27-2019 21:48 NPT_IBI/300K/table_CA_CA.xvg 1175544 04-25-2019 12:21 NPT_IBI/300K/table_init.xvg 628 04-25-2019 12:26 NPT_IBI/300K/topol.top 1345 04-25-2019 12:42 NPT_IBI/300K/translate_table.py 0 04-28-2019 12:56 NPT_IBI/310K/ 4825 04-25-2019 20:16 NPT_IBI/310K/H2O_pmatch_310.o12336822 7521 04-25-2019 20:56 NPT_IBI/310K/H2O_pmatch_310.o12336861 245033 04-28-2019 12:53 NPT_IBI/310K/U2_smooth.dat 547 04-27-2019 16:57 NPT_IBI/310K/analysis.sh 709 04-25-2019 12:23 NPT_IBI/310K/calc_error.py 2726 04-25-2019 12:32 NPT_IBI/310K/calc_new_potential.py 760 04-25-2019 12:23 NPT_IBI/310K/calc_percenterror.py 947452 04-28-2019 11:03 NPT_IBI/310K/comp_potentials.xvg 146016 04-25-2019 12:31 NPT_IBI/310K/conf.gro 1789 04-28-2019 12:56 NPT_IBI/310K/gen_table.py 2252 04-25-2019 12:31 NPT_IBI/310K/grompp.mdp 44870 04-25-2019 12:25 NPT_IBI/310K/index.ndx 0 04-25-2019 21:04 NPT_IBI/310K/iter0/ 22106 04-25-2019 19:10 NPT_IBI/310K/iter0/#rdf_0.xvg.1# 0 04-25-2019 15:59 NPT_IBI/310K/iter0/H2O_pmatch_310.o12329829 18929 04-25-2019 18:26 NPT_IBI/310K/iter0/angle_E.dat 18929 04-25-2019 18:26 NPT_IBI/310K/iter0/bond_E.dat 101255 04-25-2019 12:45 NPT_IBI/310K/iter0/cg_spce_water.data 3302 04-25-2019 12:51 NPT_IBI/310K/iter0/cg_spce_water.lmp 18929 04-25-2019 18:26 NPT_IBI/310K/iter0/coul_E.dat 58779 04-25-2019 18:26 NPT_IBI/310K/iter0/enthalpy.dat 58727 04-25-2019 18:26 NPT_IBI/310K/iter0/kinetic_E.dat 481023 04-25-2019 12:46 NPT_IBI/310K/iter0/lammps_nb_CA-CA.table 154340 04-25-2019 18:26 NPT_IBI/310K/iter0/log.lammps 154626 04-25-2019 18:26 NPT_IBI/310K/iter0/out.dat 20557800 04-25-2019 18:26 NPT_IBI/310K/iter0/outfile.xtc 60693 04-25-2019 18:26 NPT_IBI/310K/iter0/potential_E.dat 60594 04-25-2019 18:26 NPT_IBI/310K/iter0/press.dat 280604 04-25-2019 18:26 NPT_IBI/310K/iter0/press_tens.dat 303 04-25-2019 12:50 NPT_IBI/310K/iter0/qsub.sh 87248 04-25-2019 21:04 NPT_IBI/310K/iter0/rdf_0.xvg 288490 04-25-2019 18:25 NPT_IBI/310K/iter0/state1.restart 288490 04-25-2019 18:26 NPT_IBI/310K/iter0/state2.restart 1175470 04-25-2019 19:10 NPT_IBI/310K/iter0/table_CA_CA.xvg 58706 04-25-2019 18:26 NPT_IBI/310K/iter0/temp.dat 60693 04-25-2019 18:26 NPT_IBI/310K/iter0/vdw_E.dat 58715 04-25-2019 18:26 NPT_IBI/310K/iter0/vol.dat 0 04-26-2019 08:03 NPT_IBI/310K/iter1/ 0 04-25-2019 19:15 NPT_IBI/310K/iter1/H2O_pmatch_310.o12336046 0 04-26-2019 02:54 NPT_IBI/310K/iter1/H2O_pmatch_310.o12337170 18929 04-26-2019 05:19 NPT_IBI/310K/iter1/angle_E.dat 18929 04-26-2019 05:19 NPT_IBI/310K/iter1/bond_E.dat 101255 04-25-2019 21:10 NPT_IBI/310K/iter1/cg_spce_water.data 3302 04-25-2019 21:10 NPT_IBI/310K/iter1/cg_spce_water.lmp 18929 04-26-2019 05:19 NPT_IBI/310K/iter1/coul_E.dat 58929 04-26-2019 05:19 NPT_IBI/310K/iter1/enthalpy.dat 58704 04-26-2019 05:19 NPT_IBI/310K/iter1/kinetic_E.dat 481105 04-25-2019 21:09 NPT_IBI/310K/iter1/lammps_nb_CA-CA.table 154339 04-26-2019 05:19 NPT_IBI/310K/iter1/log.lammps 154625 04-26-2019 05:19 NPT_IBI/310K/iter1/out.dat 20541712 04-26-2019 05:19 NPT_IBI/310K/iter1/outfile.xtc 60705 04-26-2019 05:19 NPT_IBI/310K/iter1/potential_E.dat 60207 04-26-2019 05:19 NPT_IBI/310K/iter1/press.dat 280603 04-26-2019 05:19 NPT_IBI/310K/iter1/press_tens.dat 303 04-25-2019 21:10 NPT_IBI/310K/iter1/qsub.sh 87215 04-26-2019 08:03 NPT_IBI/310K/iter1/rdf_1.xvg 288490 04-26-2019 05:18 NPT_IBI/310K/iter1/state1.restart 288490 04-26-2019 05:19 NPT_IBI/310K/iter1/state2.restart 1175557 04-25-2019 21:09 NPT_IBI/310K/iter1/table_CA_CA.xvg 58714 04-26-2019 05:19 NPT_IBI/310K/iter1/temp.dat 60705 04-26-2019 05:19 NPT_IBI/310K/iter1/vdw_E.dat 58709 04-26-2019 05:19 NPT_IBI/310K/iter1/vol.dat 0 04-26-2019 14:04 NPT_IBI/310K/iter2/ 2418 04-26-2019 11:59 NPT_IBI/310K/iter2/H2O_pmatch_310.o12338278 18929 04-26-2019 13:30 NPT_IBI/310K/iter2/angle_E.dat 18929 04-26-2019 13:30 NPT_IBI/310K/iter2/bond_E.dat 101255 04-26-2019 08:03 NPT_IBI/310K/iter2/cg_spce_water.data 3302 04-26-2019 08:03 NPT_IBI/310K/iter2/cg_spce_water.lmp 18929 04-26-2019 13:30 NPT_IBI/310K/iter2/coul_E.dat 59154 04-26-2019 13:30 NPT_IBI/310K/iter2/enthalpy.dat 58713 04-26-2019 13:30 NPT_IBI/310K/iter2/kinetic_E.dat 480970 04-26-2019 08:03 NPT_IBI/310K/iter2/lammps_nb_CA-CA.table 154337 04-26-2019 13:30 NPT_IBI/310K/iter2/log.lammps 160587 04-26-2019 13:30 NPT_IBI/310K/iter2/out.dat 20542404 04-26-2019 13:30 NPT_IBI/310K/iter2/outfile.xtc 60691 04-26-2019 13:30 NPT_IBI/310K/iter2/potential_E.dat 60086 04-26-2019 13:30 NPT_IBI/310K/iter2/press.dat 280713 04-26-2019 13:30 NPT_IBI/310K/iter2/press_tens.dat 304 04-26-2019 08:09 NPT_IBI/310K/iter2/qsub.sh 87258 04-26-2019 14:04 NPT_IBI/310K/iter2/rdf_2.xvg 288522 04-26-2019 13:30 NPT_IBI/310K/iter2/state1.restart 288522 04-26-2019 13:30 NPT_IBI/310K/iter2/state2.restart 1175422 04-26-2019 08:03 NPT_IBI/310K/iter2/table_CA_CA.xvg 58693 04-26-2019 13:30 NPT_IBI/310K/iter2/temp.dat 60691 04-26-2019 13:30 NPT_IBI/310K/iter2/vdw_E.dat 58715 04-26-2019 13:30 NPT_IBI/310K/iter2/vol.dat 0 04-28-2019 21:01 NPT_IBI/310K/iter3/ 399 04-28-2019 21:01 NPT_IBI/310K/iter3/CG_vol_dist.xvg 0 04-26-2019 14:11 NPT_IBI/310K/iter3/H2O_pmatch_310.o12342798 18929 04-26-2019 15:40 NPT_IBI/310K/iter3/angle_E.dat 18929 04-26-2019 15:40 NPT_IBI/310K/iter3/bond_E.dat 101255 04-26-2019 14:04 NPT_IBI/310K/iter3/cg_spce_water.data 3302 04-26-2019 14:04 NPT_IBI/310K/iter3/cg_spce_water.lmp 18929 04-26-2019 15:40 NPT_IBI/310K/iter3/coul_E.dat 59216 04-26-2019 15:40 NPT_IBI/310K/iter3/enthalpy.dat 588 04-28-2019 21:01 NPT_IBI/310K/iter3/error_CG_vol_dist.xvg 58703 04-26-2019 15:40 NPT_IBI/310K/iter3/kinetic_E.dat 481002 04-26-2019 14:04 NPT_IBI/310K/iter3/lammps_nb_CA-CA.table 154341 04-26-2019 15:40 NPT_IBI/310K/iter3/log.lammps 164877 04-26-2019 15:40 NPT_IBI/310K/iter3/out.dat 20562728 04-26-2019 15:40 NPT_IBI/310K/iter3/outfile.xtc 60729 04-26-2019 15:40 NPT_IBI/310K/iter3/potential_E.dat 60002 04-26-2019 15:40 NPT_IBI/310K/iter3/press.dat 280640 04-26-2019 15:40 NPT_IBI/310K/iter3/press_tens.dat 304 04-26-2019 14:04 NPT_IBI/310K/iter3/qsub.sh 87245 04-26-2019 17:46 NPT_IBI/310K/iter3/rdf_3.xvg 288522 04-26-2019 15:39 NPT_IBI/310K/iter3/state1.restart 288522 04-26-2019 15:40 NPT_IBI/310K/iter3/state2.restart 1175452 04-26-2019 14:04 NPT_IBI/310K/iter3/table_CA_CA.xvg 58706 04-26-2019 15:40 NPT_IBI/310K/iter3/temp.dat 60729 04-26-2019 15:40 NPT_IBI/310K/iter3/vdw_E.dat 58695 04-26-2019 15:40 NPT_IBI/310K/iter3/vol.dat 0 04-27-2019 21:55 NPT_IBI/310K/iter4/ 0 04-26-2019 17:50 NPT_IBI/310K/iter4/H2O_pmatch_310.o12345670 18929 04-26-2019 19:22 NPT_IBI/310K/iter4/angle_E.dat 18929 04-26-2019 19:22 NPT_IBI/310K/iter4/bond_E.dat 101255 04-26-2019 17:46 NPT_IBI/310K/iter4/cg_spce_water.data 3302 04-26-2019 17:46 NPT_IBI/310K/iter4/cg_spce_water.lmp 18929 04-26-2019 19:22 NPT_IBI/310K/iter4/coul_E.dat 59306 04-26-2019 19:22 NPT_IBI/310K/iter4/enthalpy.dat 58674 04-26-2019 19:22 NPT_IBI/310K/iter4/kinetic_E.dat 480948 04-26-2019 17:46 NPT_IBI/310K/iter4/lammps_nb_CA-CA.table 154337 04-26-2019 19:22 NPT_IBI/310K/iter4/log.lammps 157424 04-26-2019 19:22 NPT_IBI/310K/iter4/out.dat 20592048 04-26-2019 19:22 NPT_IBI/310K/iter4/outfile.xtc 60680 04-26-2019 19:22 NPT_IBI/310K/iter4/potential_E.dat 59944 04-26-2019 19:22 NPT_IBI/310K/iter4/press.dat 280956 04-26-2019 19:22 NPT_IBI/310K/iter4/press_tens.dat 304 04-26-2019 17:46 NPT_IBI/310K/iter4/qsub.sh 87238 04-27-2019 21:55 NPT_IBI/310K/iter4/rdf_4.xvg 288522 04-26-2019 19:21 NPT_IBI/310K/iter4/state1.restart 288522 04-26-2019 19:22 NPT_IBI/310K/iter4/state2.restart 1175403 04-26-2019 17:46 NPT_IBI/310K/iter4/table_CA_CA.xvg 58706 04-26-2019 19:22 NPT_IBI/310K/iter4/temp.dat 60680 04-26-2019 19:22 NPT_IBI/310K/iter4/vdw_E.dat 58691 04-26-2019 19:22 NPT_IBI/310K/iter4/vol.dat 348834 04-27-2019 21:56 NPT_IBI/310K/iterative_improvement.xvg 481002 04-27-2019 21:57 NPT_IBI/310K/lammps_nb_CA-CA.table 414 04-25-2019 20:19 NPT_IBI/310K/qsub.sh 55732 04-25-2019 20:58 NPT_IBI/310K/rdf_ref.dat 87531 04-25-2019 20:56 NPT_IBI/310K/rdf_ref.xvg 1175451 04-28-2019 12:56 NPT_IBI/310K/table.xvg 1175452 04-27-2019 21:57 NPT_IBI/310K/table_CA_CA.xvg 1175470 04-25-2019 12:21 NPT_IBI/310K/table_init.xvg 628 04-25-2019 12:26 NPT_IBI/310K/topol.top 1345 04-25-2019 12:42 NPT_IBI/310K/translate_table.py 0 04-28-2019 12:56 NPT_IBI/320K/ 4794 04-25-2019 20:16 NPT_IBI/320K/H2O_pmatch_320.o12336814 7522 04-25-2019 20:56 NPT_IBI/320K/H2O_pmatch_320.o12336858 245511 04-28-2019 12:52 NPT_IBI/320K/U2_smooth.dat 547 04-27-2019 16:43 NPT_IBI/320K/analysis.sh 709 04-25-2019 12:23 NPT_IBI/320K/calc_error.py 2726 04-25-2019 12:33 NPT_IBI/320K/calc_new_potential.py 760 04-25-2019 12:23 NPT_IBI/320K/calc_percenterror.py 86025 04-26-2019 13:59 NPT_IBI/320K/comp_NPT_IBI.png 698949 04-26-2019 13:59 NPT_IBI/320K/comp_NPT_IBI.xvg 713578 04-26-2019 08:19 NPT_IBI/320K/comp_potential_changes.xvg 713562 04-28-2019 11:06 NPT_IBI/320K/comp_potentials.xvg 146016 04-25-2019 12:31 NPT_IBI/320K/conf.gro 1789 04-28-2019 12:56 NPT_IBI/320K/gen_table.py 2252 04-25-2019 12:31 NPT_IBI/320K/grompp.mdp 44870 04-25-2019 12:25 NPT_IBI/320K/index.ndx 0 04-25-2019 21:03 NPT_IBI/320K/iter0/ 87233 04-25-2019 18:47 NPT_IBI/320K/iter0/#rdf_0.xvg.1# 22108 04-25-2019 19:01 NPT_IBI/320K/iter0/#rdf_0.xvg.2# 0 04-25-2019 15:59 NPT_IBI/320K/iter0/H2O_pmatch_320.o12329822 18929 04-25-2019 18:31 NPT_IBI/320K/iter0/angle_E.dat 18929 04-25-2019 18:31 NPT_IBI/320K/iter0/bond_E.dat 101255 04-25-2019 12:45 NPT_IBI/320K/iter0/cg_spce_water.data 3301 04-25-2019 12:51 NPT_IBI/320K/iter0/cg_spce_water.lmp 18929 04-25-2019 18:31 NPT_IBI/320K/iter0/coul_E.dat 59042 04-25-2019 18:31 NPT_IBI/320K/iter0/enthalpy.dat 58686 04-25-2019 18:31 NPT_IBI/320K/iter0/kinetic_E.dat 481119 04-25-2019 12:46 NPT_IBI/320K/iter0/lammps_nb_CA-CA.table 154337 04-25-2019 18:31 NPT_IBI/320K/iter0/log.lammps 154650 04-25-2019 18:31 NPT_IBI/320K/iter0/out.dat 20506760 04-25-2019 18:31 NPT_IBI/320K/iter0/outfile.xtc 60716 04-25-2019 18:31 NPT_IBI/320K/iter0/potential_E.dat 60348 04-25-2019 18:31 NPT_IBI/320K/iter0/press.dat 280583 04-25-2019 18:31 NPT_IBI/320K/iter0/press_tens.dat 303 04-25-2019 12:51 NPT_IBI/320K/iter0/qsub.sh 87242 04-25-2019 21:03 NPT_IBI/320K/iter0/rdf_0.xvg 288490 04-25-2019 18:31 NPT_IBI/320K/iter0/state1.restart 288490 04-25-2019 18:31 NPT_IBI/320K/iter0/state2.restart 1175575 04-25-2019 19:03 NPT_IBI/320K/iter0/table_CA_CA.xvg 58685 04-25-2019 18:31 NPT_IBI/320K/iter0/temp.dat 60716 04-25-2019 18:31 NPT_IBI/320K/iter0/vdw_E.dat 58731 04-25-2019 18:31 NPT_IBI/320K/iter0/vol.dat 0 04-26-2019 08:02 NPT_IBI/320K/iter1/ 0 04-25-2019 19:05 NPT_IBI/320K/iter1/H2O_pmatch_320.o12336021 0 04-26-2019 02:54 NPT_IBI/320K/iter1/H2O_pmatch_320.o12337168 18929 04-26-2019 05:15 NPT_IBI/320K/iter1/angle_E.dat 18929 04-26-2019 05:15 NPT_IBI/320K/iter1/bond_E.dat 101255 04-25-2019 21:03 NPT_IBI/320K/iter1/cg_spce_water.data 3301 04-25-2019 21:03 NPT_IBI/320K/iter1/cg_spce_water.lmp 18929 04-26-2019 05:15 NPT_IBI/320K/iter1/coul_E.dat 58950 04-26-2019 05:15 NPT_IBI/320K/iter1/enthalpy.dat 58704 04-26-2019 05:15 NPT_IBI/320K/iter1/kinetic_E.dat 481204 04-25-2019 21:03 NPT_IBI/320K/iter1/lammps_nb_CA-CA.table 154339 04-26-2019 05:15 NPT_IBI/320K/iter1/log.lammps 154626 04-26-2019 05:15 NPT_IBI/320K/iter1/out.dat 20581864 04-26-2019 05:15 NPT_IBI/320K/iter1/outfile.xtc 60685 04-26-2019 05:15 NPT_IBI/320K/iter1/potential_E.dat 60100 04-26-2019 05:15 NPT_IBI/320K/iter1/press.dat 280628 04-26-2019 05:15 NPT_IBI/320K/iter1/press_tens.dat 303 04-25-2019 21:03 NPT_IBI/320K/iter1/qsub.sh 87241 04-26-2019 08:02 NPT_IBI/320K/iter1/rdf_1.xvg 288490 04-26-2019 05:14 NPT_IBI/320K/iter1/state1.restart 288490 04-26-2019 05:15 NPT_IBI/320K/iter1/state2.restart 1175662 04-25-2019 21:03 NPT_IBI/320K/iter1/table_CA_CA.xvg 58713 04-26-2019 05:15 NPT_IBI/320K/iter1/temp.dat 60685 04-26-2019 05:15 NPT_IBI/320K/iter1/vdw_E.dat 58739 04-26-2019 05:15 NPT_IBI/320K/iter1/vol.dat 0 04-28-2019 21:01 NPT_IBI/320K/iter2/ 399 04-28-2019 21:01 NPT_IBI/320K/iter2/CG_vol_dist.xvg 2418 04-26-2019 11:59 NPT_IBI/320K/iter2/H2O_pmatch_320.o12338277 18929 04-26-2019 13:30 NPT_IBI/320K/iter2/angle_E.dat 18929 04-26-2019 13:30 NPT_IBI/320K/iter2/bond_E.dat 101255 04-26-2019 08:02 NPT_IBI/320K/iter2/cg_spce_water.data 3301 04-26-2019 08:02 NPT_IBI/320K/iter2/cg_spce_water.lmp 18929 04-26-2019 13:30 NPT_IBI/320K/iter2/coul_E.dat 59162 04-26-2019 13:30 NPT_IBI/320K/iter2/enthalpy.dat 588 04-28-2019 21:01 NPT_IBI/320K/iter2/error_CG_vol_dist.xvg 58713 04-26-2019 13:30 NPT_IBI/320K/iter2/kinetic_E.dat 481111 04-26-2019 08:02 NPT_IBI/320K/iter2/lammps_nb_CA-CA.table 154339 04-26-2019 13:30 NPT_IBI/320K/iter2/log.lammps 160639 04-26-2019 13:30 NPT_IBI/320K/iter2/out.dat 20558596 04-26-2019 13:30 NPT_IBI/320K/iter2/outfile.xtc 60740 04-26-2019 13:30 NPT_IBI/320K/iter2/potential_E.dat 59974 04-26-2019 13:30 NPT_IBI/320K/iter2/press.dat 280960 04-26-2019 13:30 NPT_IBI/320K/iter2/press_tens.dat 304 04-26-2019 08:09 NPT_IBI/320K/iter2/qsub.sh 87233 04-26-2019 13:45 NPT_IBI/320K/iter2/rdf_2.xvg 288522 04-26-2019 13:29 NPT_IBI/320K/iter2/state1.restart 288522 04-26-2019 13:30 NPT_IBI/320K/iter2/state2.restart 1175565 04-26-2019 08:02 NPT_IBI/320K/iter2/table_CA_CA.xvg 58692 04-26-2019 13:30 NPT_IBI/320K/iter2/temp.dat 60740 04-26-2019 13:30 NPT_IBI/320K/iter2/vdw_E.dat 58683 04-26-2019 13:30 NPT_IBI/320K/iter2/vol.dat 0 04-26-2019 17:05 NPT_IBI/320K/iter3/ 0 04-26-2019 14:00 NPT_IBI/320K/iter3/H2O_pmatch_320.o12342561 18929 04-26-2019 15:25 NPT_IBI/320K/iter3/angle_E.dat 18929 04-26-2019 15:25 NPT_IBI/320K/iter3/bond_E.dat 101255 04-26-2019 13:45 NPT_IBI/320K/iter3/cg_spce_water.data 3301 04-26-2019 13:45 NPT_IBI/320K/iter3/cg_spce_water.lmp 18929 04-26-2019 15:25 NPT_IBI/320K/iter3/coul_E.dat 59237 04-26-2019 15:25 NPT_IBI/320K/iter3/enthalpy.dat 58710 04-26-2019 15:25 NPT_IBI/320K/iter3/kinetic_E.dat 481146 04-26-2019 13:45 NPT_IBI/320K/iter3/lammps_nb_CA-CA.table 154337 04-26-2019 15:25 NPT_IBI/320K/iter3/log.lammps 164789 04-26-2019 15:25 NPT_IBI/320K/iter3/out.dat 20626468 04-26-2019 15:25 NPT_IBI/320K/iter3/outfile.xtc 60729 04-26-2019 15:25 NPT_IBI/320K/iter3/potential_E.dat 59894 04-26-2019 15:25 NPT_IBI/320K/iter3/press.dat 280926 04-26-2019 15:25 NPT_IBI/320K/iter3/press_tens.dat 304 04-26-2019 13:45 NPT_IBI/320K/iter3/qsub.sh 87244 04-26-2019 17:05 NPT_IBI/320K/iter3/rdf_3.xvg 288522 04-26-2019 15:25 NPT_IBI/320K/iter3/state1.restart 288522 04-26-2019 15:25 NPT_IBI/320K/iter3/state2.restart 1175600 04-26-2019 13:45 NPT_IBI/320K/iter3/table_CA_CA.xvg 58700 04-26-2019 15:25 NPT_IBI/320K/iter3/temp.dat 60729 04-26-2019 15:25 NPT_IBI/320K/iter3/vdw_E.dat 58719 04-26-2019 15:25 NPT_IBI/320K/iter3/vol.dat 291940 04-26-2019 17:07 NPT_IBI/320K/iterative_improvement.xvg 481111 04-27-2019 16:57 NPT_IBI/320K/lammps_nb_CA-CA.table 414 04-25-2019 20:19 NPT_IBI/320K/qsub.sh 55588 04-25-2019 20:58 NPT_IBI/320K/rdf_ref.dat 87374 04-25-2019 20:56 NPT_IBI/320K/rdf_ref.xvg 1175514 04-28-2019 12:56 NPT_IBI/320K/table.xvg 1175565 04-27-2019 16:57 NPT_IBI/320K/table_CA_CA.xvg 1175575 04-25-2019 12:22 NPT_IBI/320K/table_init.xvg 628 04-25-2019 12:26 NPT_IBI/320K/topol.top 1345 04-25-2019 12:42 NPT_IBI/320K/translate_table.py 2887 04-28-2019 21:01 NPT_IBI/xvg_distro.py --------- ------- 583863470 693 files