===================================================== Content of ZIP archive AA_lammps.zip ===================================================== Archive: AA_lammps.zip Length Date Time Name --------- ---------- ----- ---- 0 05-08-2019 07:58 AA_lammps/ 0 04-29-2019 16:39 AA_lammps/NPT/ 0 04-29-2019 15:54 AA_lammps/NPT/#temp_spce_water.trr.1# 146 04-25-2019 15:47 AA_lammps/NPT/angleIDs.txt 292495 04-28-2019 23:12 AA_lammps/NPT/angle_E.dat 99 04-25-2019 15:47 AA_lammps/NPT/bondIDs.txt 292553 04-28-2019 23:12 AA_lammps/NPT/bond_E.dat 143863 04-29-2019 09:34 AA_lammps/NPT/cg_spce_water.gro 2091 04-29-2019 09:34 AA_lammps/NPT/cg_spce_water.mdp 628 04-29-2019 09:33 AA_lammps/NPT/cg_spce_water.top 103680 04-29-2019 09:35 AA_lammps/NPT/cg_spce_water.tpr 500277376 04-29-2019 16:03 AA_lammps/NPT/cg_spce_water.trr 292526 04-28-2019 23:12 AA_lammps/NPT/coul_E.dat 144 04-25-2019 15:47 AA_lammps/NPT/dihedralIDs.txt 45 04-25-2019 15:47 AA_lammps/NPT/dump_lmp_conv.txt 302337 04-28-2019 23:12 AA_lammps/NPT/enthalpy.dat 437848 04-25-2019 15:37 AA_lammps/NPT/gro.file 44870 04-29-2019 09:34 AA_lammps/NPT/index.ndx 292562 04-28-2019 23:12 AA_lammps/NPT/kinetic_E.dat 339454 04-25-2019 15:47 AA_lammps/NPT/lammps.data 0 04-25-2019 16:25 AA_lammps/NPT/lammps_H2O_NPT.o12333804 0 04-25-2019 16:28 AA_lammps/NPT/lammps_H2O_NPT.o12333907 0 04-25-2019 16:31 AA_lammps/NPT/lammps_H2O_NPT.o12333991 0 04-26-2019 13:30 AA_lammps/NPT/lammps_H2O_NPT.o12341885 0 04-26-2019 13:36 AA_lammps/NPT/lammps_H2O_NPT.o12342083 0 04-26-2019 13:36 AA_lammps/NPT/log.lammps 10568 04-25-2019 12:13 AA_lammps/NPT/make_ndx 2672 04-25-2019 12:13 AA_lammps/NPT/make_ndx.cpp 10325 04-29-2019 09:35 AA_lammps/NPT/mdout.mdp 655 04-25-2019 15:47 AA_lammps/NPT/mol_type_top_dump.txt 745096 04-28-2019 23:12 AA_lammps/NPT/out.dat 225372176 04-28-2019 23:12 AA_lammps/NPT/outfile.xtc 302338 04-28-2019 23:12 AA_lammps/NPT/potential_E.dat 300635 04-28-2019 23:12 AA_lammps/NPT/press.dat 1404820 04-28-2019 23:12 AA_lammps/NPT/press_tens.dat 322 04-26-2019 13:30 AA_lammps/NPT/qsub.sh 22134 04-29-2019 16:39 AA_lammps/NPT/rdf_CA_CA.xvg 2202 04-25-2019 16:30 AA_lammps/NPT/spce_water.lmp 237 04-25-2019 15:34 AA_lammps/NPT/spce_water_2115.top 3551 04-26-2019 13:35 AA_lammps/NPT/spce_water_fixed.lmp 999372 04-28-2019 23:07 AA_lammps/NPT/state1.restart 999372 04-28-2019 23:11 AA_lammps/NPT/state2.restart 292536 04-28-2019 23:12 AA_lammps/NPT/temp.dat 5365 04-29-2019 15:54 AA_lammps/NPT/temp_spce_water.log 1497609856 04-29-2019 15:54 AA_lammps/NPT/temp_spce_water.trr 571 04-25-2019 15:47 AA_lammps/NPT/top.itp 241249 04-29-2019 09:35 AA_lammps/NPT/tpr_dump.txt 292527 04-28-2019 23:12 AA_lammps/NPT/vdw_E.dat 292540 04-28-2019 23:12 AA_lammps/NPT/vol.dat 0 05-08-2019 08:03 AA_lammps/NPT_altparams/ 148386 05-07-2019 19:50 AA_lammps/NPT_altparams/angle_E.dat 148393 05-07-2019 19:50 AA_lammps/NPT_altparams/bond_E.dat 2091 05-08-2019 07:59 AA_lammps/NPT_altparams/cg_spce_water.mdp 103680 05-08-2019 07:59 AA_lammps/NPT_altparams/cg_spce_water.tpr 254670924 05-08-2019 08:03 AA_lammps/NPT_altparams/cg_spce_water.trr 148350 05-07-2019 19:50 AA_lammps/NPT_altparams/coul_E.dat 153387 05-07-2019 19:50 AA_lammps/NPT_altparams/enthalpy.dat 148369 05-07-2019 19:50 AA_lammps/NPT_altparams/kinetic_E.dat 339454 05-06-2019 14:00 AA_lammps/NPT_altparams/lammps.data 0 05-06-2019 14:03 AA_lammps/NPT_altparams/lammps_H2O_NVT.o12447570 0 05-06-2019 14:10 AA_lammps/NPT_altparams/lammps_H2O_NVT.o12447717 380348 05-07-2019 19:50 AA_lammps/NPT_altparams/log.lammps 324 05-08-2019 08:00 AA_lammps/NPT_altparams/map_spce_water.top 384327 05-07-2019 19:50 AA_lammps/NPT_altparams/out.dat 117634304 05-07-2019 19:50 AA_lammps/NPT_altparams/outfile.xtc 153403 05-07-2019 19:50 AA_lammps/NPT_altparams/potential_E.dat 152160 05-07-2019 19:50 AA_lammps/NPT_altparams/press.dat 713617 05-07-2019 19:50 AA_lammps/NPT_altparams/press_tens.dat 316 05-06-2019 14:00 AA_lammps/NPT_altparams/qsub.sh 3604 05-06-2019 14:09 AA_lammps/NPT_altparams/spce_water.lmp 999372 05-07-2019 19:47 AA_lammps/NPT_altparams/state1.restart 999372 05-07-2019 19:50 AA_lammps/NPT_altparams/state2.restart 148411 05-07-2019 19:50 AA_lammps/NPT_altparams/temp.dat 762372444 05-08-2019 08:00 AA_lammps/NPT_altparams/temp_spce_water.trr 148364 05-07-2019 19:50 AA_lammps/NPT_altparams/vdw_E.dat 148352 05-07-2019 19:50 AA_lammps/NPT_altparams/vol.dat 0 05-09-2019 14:43 AA_lammps/NPT_charges/ 148394 05-09-2019 14:43 AA_lammps/NPT_charges/angle_E.dat 148374 05-09-2019 14:43 AA_lammps/NPT_charges/bond_E.dat 148296 05-09-2019 14:43 AA_lammps/NPT_charges/coul_E.dat 153353 05-09-2019 14:43 AA_lammps/NPT_charges/enthalpy.dat 148377 05-09-2019 14:43 AA_lammps/NPT_charges/kinetic_E.dat 339449 05-08-2019 07:58 AA_lammps/NPT_charges/lammps.data 2418 05-08-2019 08:00 AA_lammps/NPT_charges/lammps_H2O_NVT.o12475683 2418 05-08-2019 08:06 AA_lammps/NPT_charges/lammps_H2O_NVT.o12475719 380457 05-09-2019 14:43 AA_lammps/NPT_charges/log.lammps 387561 05-09-2019 14:43 AA_lammps/NPT_charges/out.dat 117693356 05-09-2019 14:43 AA_lammps/NPT_charges/outfile.xtc 153361 05-09-2019 14:43 AA_lammps/NPT_charges/potential_E.dat 152118 05-09-2019 14:43 AA_lammps/NPT_charges/press.dat 713317 05-09-2019 14:43 AA_lammps/NPT_charges/press_tens.dat 316 05-08-2019 07:58 AA_lammps/NPT_charges/qsub.sh 3657 05-08-2019 08:05 AA_lammps/NPT_charges/spce_water.lmp 999372 05-09-2019 14:40 AA_lammps/NPT_charges/state1.restart 999372 05-09-2019 14:43 AA_lammps/NPT_charges/state2.restart 148380 05-09-2019 14:43 AA_lammps/NPT_charges/temp.dat 148401 05-09-2019 14:43 AA_lammps/NPT_charges/vdw_E.dat 148376 05-09-2019 14:43 AA_lammps/NPT_charges/vol.dat 0 04-29-2019 16:21 AA_lammps/NVT/ 1441662908 04-29-2019 15:55 AA_lammps/NVT/#temp_spce_water.trr.1# 1441662908 04-29-2019 16:04 AA_lammps/NVT/#temp_spce_water.trr.2# 1524440 04-29-2019 16:05 AA_lammps/NVT/#temp_spce_water.trr.3# 281554 04-28-2019 23:05 AA_lammps/NVT/angle_E.dat 281552 04-28-2019 23:05 AA_lammps/NVT/bond_E.dat 2080 04-29-2019 15:57 AA_lammps/NVT/cg_spce_water.mdp 103680 04-29-2019 15:57 AA_lammps/NVT/cg_spce_water.tpr 478736524 04-29-2019 16:10 AA_lammps/NVT/cg_spce_water.trr 281591 04-28-2019 23:05 AA_lammps/NVT/coul_E.dat 291016 04-28-2019 23:05 AA_lammps/NVT/enthalpy.dat 281531 04-28-2019 23:05 AA_lammps/NVT/kinetic_E.dat 339454 04-25-2019 15:48 AA_lammps/NVT/lammps.data 0 04-25-2019 16:34 AA_lammps/NVT/lammps_H2O_NVT.o12333999 0 04-26-2019 13:28 AA_lammps/NVT/lammps_H2O_NVT.o12341857 1427156 04-28-2019 23:05 AA_lammps/NVT/log.lammps 324 04-29-2019 16:08 AA_lammps/NVT/map_spce_water.top 10299 04-29-2019 15:57 AA_lammps/NVT/mdout.mdp 717571 04-28-2019 23:05 AA_lammps/NVT/out.dat 218004432 04-28-2019 23:05 AA_lammps/NVT/outfile.xtc 291019 04-28-2019 23:05 AA_lammps/NVT/potential_E.dat 284440 04-28-2019 23:05 AA_lammps/NVT/press.dat 1340693 04-28-2019 23:05 AA_lammps/NVT/press_tens.dat 316 04-26-2019 13:28 AA_lammps/NVT/qsub.sh 22135 04-29-2019 16:21 AA_lammps/NVT/rdf_CA_CA.xvg 3524 04-26-2019 13:26 AA_lammps/NVT/spce_water.lmp 999196 04-28-2019 23:02 AA_lammps/NVT/state1.restart 999196 04-28-2019 22:59 AA_lammps/NVT/state2.restart 281490 04-28-2019 23:05 AA_lammps/NVT/temp.dat 1433126044 04-29-2019 16:05 AA_lammps/NVT/temp_spce_water.trr 241235 04-29-2019 16:10 AA_lammps/NVT/tpr_dump.txt 281527 04-28-2019 23:05 AA_lammps/NVT/vdw_E.dat 102946 04-28-2019 23:05 AA_lammps/NVT/vol.dat 0 05-08-2019 07:48 AA_lammps/NVT_altparams/ 148372 05-07-2019 20:58 AA_lammps/NVT_altparams/angle_E.dat 148376 05-07-2019 20:58 AA_lammps/NVT_altparams/bond_E.dat 2080 05-08-2019 07:35 AA_lammps/NVT_altparams/cg_spce_water.mdp 103680 05-08-2019 07:37 AA_lammps/NVT_altparams/cg_spce_water.tpr 254670924 05-08-2019 07:38 AA_lammps/NVT_altparams/cg_spce_water.trr 148354 05-07-2019 20:58 AA_lammps/NVT_altparams/coul_E.dat 153395 05-07-2019 20:58 AA_lammps/NVT_altparams/enthalpy.dat 148387 05-07-2019 20:58 AA_lammps/NVT_altparams/kinetic_E.dat 339454 05-06-2019 14:00 AA_lammps/NVT_altparams/lammps.data 0 05-06-2019 14:03 AA_lammps/NVT_altparams/lammps_H2O_NVT.o12447578 0 05-06-2019 14:06 AA_lammps/NVT_altparams/lammps_H2O_NVT.o12447681 0 05-06-2019 14:07 AA_lammps/NVT_altparams/lammps_H2O_NVT.o12447688 380320 05-07-2019 20:58 AA_lammps/NVT_altparams/log.lammps 324 05-08-2019 07:35 AA_lammps/NVT_altparams/map_spce_water.top 384328 05-07-2019 20:58 AA_lammps/NVT_altparams/out.dat 117657984 05-07-2019 20:58 AA_lammps/NVT_altparams/outfile.xtc 153380 05-07-2019 20:58 AA_lammps/NVT_altparams/potential_E.dat 151605 05-07-2019 20:58 AA_lammps/NVT_altparams/press.dat 712233 05-07-2019 20:58 AA_lammps/NVT_altparams/press_tens.dat 316 05-06-2019 14:00 AA_lammps/NVT_altparams/qsub.sh 22161 05-08-2019 07:48 AA_lammps/NVT_altparams/rdf_CA_CA.xvg 3575 05-06-2019 14:06 AA_lammps/NVT_altparams/spce_water.lmp 999196 05-07-2019 20:54 AA_lammps/NVT_altparams/state1.restart 999196 05-07-2019 20:58 AA_lammps/NVT_altparams/state2.restart 148423 05-07-2019 20:58 AA_lammps/NVT_altparams/temp.dat 762372444 05-08-2019 07:36 AA_lammps/NVT_altparams/temp_spce_water.trr 148390 05-07-2019 20:58 AA_lammps/NVT_altparams/vdw_E.dat 53930 05-07-2019 20:58 AA_lammps/NVT_altparams/vol.dat 0 05-09-2019 14:11 AA_lammps/NVT_charges/ 148402 05-09-2019 14:11 AA_lammps/NVT_charges/angle_E.dat 148415 05-09-2019 14:11 AA_lammps/NVT_charges/bond_E.dat 148389 05-09-2019 14:11 AA_lammps/NVT_charges/coul_E.dat 153409 05-09-2019 14:11 AA_lammps/NVT_charges/enthalpy.dat 148342 05-09-2019 14:11 AA_lammps/NVT_charges/kinetic_E.dat 339449 05-08-2019 07:56 AA_lammps/NVT_charges/lammps.data 2418 05-08-2019 07:59 AA_lammps/NVT_charges/lammps_H2O_NVT.o12475677 2418 05-08-2019 08:07 AA_lammps/NVT_charges/lammps_H2O_NVT.o12475723 380425 05-09-2019 14:11 AA_lammps/NVT_charges/log.lammps 387559 05-09-2019 14:11 AA_lammps/NVT_charges/out.dat 117688152 05-09-2019 14:11 AA_lammps/NVT_charges/outfile.xtc 153389 05-09-2019 14:11 AA_lammps/NVT_charges/potential_E.dat 151751 05-09-2019 14:11 AA_lammps/NVT_charges/press.dat 712453 05-09-2019 14:11 AA_lammps/NVT_charges/press_tens.dat 316 05-08-2019 07:55 AA_lammps/NVT_charges/qsub.sh 3627 05-08-2019 08:05 AA_lammps/NVT_charges/spce_water.lmp 999196 05-09-2019 14:07 AA_lammps/NVT_charges/state1.restart 999196 05-09-2019 14:11 AA_lammps/NVT_charges/state2.restart 148366 05-09-2019 14:11 AA_lammps/NVT_charges/temp.dat 148411 05-09-2019 14:11 AA_lammps/NVT_charges/vdw_E.dat 53930 05-09-2019 14:11 AA_lammps/NVT_charges/vol.dat --------- ------- 9781406332 182 files