===================================================== Content of ZIP archive 2_mol_sims.zip ===================================================== Archive: 2_mol_sims.zip Length Date Time Name --------- ---------- ----- ---- 0 04-29-2019 13:16 2_mol_sims/ 0 04-29-2019 15:30 2_mol_sims/pulling_sims/ 19933 04-29-2019 14:44 2_mol_sims/pulling_sims/angle_E.dat 19933 04-29-2019 14:44 2_mol_sims/pulling_sims/bond_E.dat 543 04-29-2019 14:33 2_mol_sims/pulling_sims/cg_spce_water.btp 394 04-29-2019 13:53 2_mol_sims/pulling_sims/cg_spce_water.data 3348 04-29-2019 14:44 2_mol_sims/pulling_sims/cg_spce_water.lmp 58228 04-29-2019 15:30 2_mol_sims/pulling_sims/comp_gmx_v_lmps_potential.png 324020 04-29-2019 15:30 2_mol_sims/pulling_sims/comp_gmx_v_lmps_potential.xvg 19933 04-29-2019 14:44 2_mol_sims/pulling_sims/coul_E.dat 3471 04-29-2019 14:26 2_mol_sims/pulling_sims/dump.lmp 189 04-29-2019 14:34 2_mol_sims/pulling_sims/dump_my_mols.txt 56931 04-29-2019 14:44 2_mol_sims/pulling_sims/enthalpy.dat 80568 04-29-2019 13:44 2_mol_sims/pulling_sims/gmx_potential.xvg 19933 04-29-2019 14:44 2_mol_sims/pulling_sims/kinetic_E.dat 320 04-29-2019 14:44 2_mol_sims/pulling_sims/lammps.xtc 716129 04-29-2019 14:39 2_mol_sims/pulling_sims/lammps_dump.lmp 390 04-29-2019 14:34 2_mol_sims/pulling_sims/lammps_dump.txt 471373 04-29-2019 13:43 2_mol_sims/pulling_sims/lammps_nb_CA-CA.table 0 04-29-2019 14:18 2_mol_sims/pulling_sims/lammps_traj.dump 0 04-29-2019 14:27 2_mol_sims/pulling_sims/lammps_traj.rerun.dump 230287 04-29-2019 14:44 2_mol_sims/pulling_sims/log.lammps 8824 04-29-2019 13:40 2_mol_sims/pulling_sims/make_trj 644 04-29-2019 13:39 2_mol_sims/pulling_sims/make_trj.cpp 227781 04-29-2019 14:44 2_mol_sims/pulling_sims/out.dat 59798 04-29-2019 14:44 2_mol_sims/pulling_sims/potential_E.dat 57314 04-29-2019 14:44 2_mol_sims/pulling_sims/press.dat 87013 04-29-2019 14:44 2_mol_sims/pulling_sims/press_tens.dat 1189316 04-29-2019 13:43 2_mol_sims/pulling_sims/rerun.edr 999764 04-29-2019 13:43 2_mol_sims/pulling_sims/rerun.log 1232 04-29-2019 13:43 2_mol_sims/pulling_sims/rerun.trr 1175544 04-29-2019 13:43 2_mol_sims/pulling_sims/table_CA_CA.xvg 19935 04-29-2019 14:44 2_mol_sims/pulling_sims/temp.dat 8807 04-29-2019 14:33 2_mol_sims/pulling_sims/tpr_dump.txt 457342 04-29-2019 13:41 2_mol_sims/pulling_sims/traj.gro 240080 04-29-2019 13:41 2_mol_sims/pulling_sims/trajectory.xtc 636212 04-29-2019 14:31 2_mol_sims/pulling_sims/trjconv.trr 59798 04-29-2019 14:44 2_mol_sims/pulling_sims/vdw_E.dat 79954 04-29-2019 14:44 2_mol_sims/pulling_sims/vol.dat 0 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/ 0 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/H2O_pmatch_300.o12345321 828 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/angle_E.dat 828 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/bond_E.dat 3290 04-26-2019 17:13 2_mol_sims/same_table_N4_interpolation/cg_spce_water.lmp 828 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/coul_E.dat 2908 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/enthalpy.dat 2837 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/kinetic_E.dat 400 04-26-2019 17:13 2_mol_sims/same_table_N4_interpolation/lammps.data 471373 04-26-2019 17:13 2_mol_sims/same_table_N4_interpolation/lammps_nb_CA-CA.table 11779 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/log.lammps 9050 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/out.dat 8080 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/outfile.xtc 2870 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/potential_E.dat 2914 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/press.dat 14153 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/press_tens.dat 318 04-26-2019 17:13 2_mol_sims/same_table_N4_interpolation/qsub.sh 1094 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/state1.restart 1094 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/state2.restart 2822 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/temp.dat 2870 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/vdw_E.dat 2817 04-26-2019 17:14 2_mol_sims/same_table_N4_interpolation/vol.dat 0 04-29-2019 13:14 2_mol_sims/same_table_same_interpolation/ 679485 04-29-2019 10:06 2_mol_sims/same_table_same_interpolation/#dist.xvg.1# 679479 04-29-2019 10:07 2_mol_sims/same_table_same_interpolation/#dist.xvg.2# 0 04-26-2019 16:30 2_mol_sims/same_table_same_interpolation/H2O_pmatch_300.o12344929 0 04-29-2019 09:53 2_mol_sims/same_table_same_interpolation/H2O_pmatch_300.o12363269 98930 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/angle_E.dat 98930 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/bond_E.dat 101255 04-26-2019 16:23 2_mol_sims/same_table_same_interpolation/cg_spce_water.data 176 04-29-2019 10:02 2_mol_sims/same_table_same_interpolation/cg_spce_water.gro 3296 04-29-2019 09:53 2_mol_sims/same_table_same_interpolation/cg_spce_water.lmp 2091 04-29-2019 10:01 2_mol_sims/same_table_same_interpolation/cg_spce_water.mdp 622 04-29-2019 10:02 2_mol_sims/same_table_same_interpolation/cg_spce_water.top 2256 04-29-2019 10:04 2_mol_sims/same_table_same_interpolation/cg_spce_water.tpr 62861 04-29-2019 10:21 2_mol_sims/same_table_same_interpolation/comp_gmx_vs_lmp_potlvdist.png 938093 04-29-2019 10:21 2_mol_sims/same_table_same_interpolation/comp_gmx_vs_lmp_potlvdist.xvg 98930 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/coul_E.dat 679499 04-29-2019 10:08 2_mol_sims/same_table_same_interpolation/dist.xvg 307793 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/enthalpy.dat 269389 04-29-2019 10:11 2_mol_sims/same_table_same_interpolation/gmx_potential.xvg 76 04-29-2019 10:03 2_mol_sims/same_table_same_interpolation/index.ndx 299487 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/kinetic_E.dat 400 04-26-2019 16:24 2_mol_sims/same_table_same_interpolation/lammps.data 471373 04-26-2019 16:24 2_mol_sims/same_table_same_interpolation/lammps_nb_CA-CA.table 755390 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/log.lammps 10325 04-29-2019 10:04 2_mol_sims/same_table_same_interpolation/mdout.mdp 110 04-29-2019 10:08 2_mol_sims/same_table_same_interpolation/mod_ndx.ndx 752655 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/out.dat 1729063 04-29-2019 13:14 2_mol_sims/same_table_same_interpolation/outfile.gro 800080 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/outfile.xtc 4209312 04-29-2019 10:09 2_mol_sims/same_table_same_interpolation/outfile_dump.txt 153911 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/potential_E.dat 307832 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/press.dat 1466666 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/press_tens.dat 318 04-26-2019 16:28 2_mol_sims/same_table_same_interpolation/qsub.sh 3961316 04-29-2019 10:04 2_mol_sims/same_table_same_interpolation/rerun.edr 3309755 04-29-2019 10:04 2_mol_sims/same_table_same_interpolation/rerun.log 3080308 04-29-2019 10:04 2_mol_sims/same_table_same_interpolation/rerun.trr 1094 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/state1.restart 1094 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/state2.restart 1175544 04-29-2019 09:58 2_mol_sims/same_table_same_interpolation/table_CA_CA.xvg 297895 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/temp.dat 153911 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/vdw_E.dat 297834 04-29-2019 09:54 2_mol_sims/same_table_same_interpolation/vol.dat --------- ------- 35137268 104 files