===================================================== Content of ZIP archive thf-data-001.zip ===================================================== Archive: thf-data-001.zip Length Date Time Name --------- ---------- ----- ---- 0 02-15-2024 13:25 thf-data/ 0 01-28-2024 16:06 thf-data/CG_SIMS_DD_Universal/ 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/ 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ 764592 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/aa_pressures.xvg 750025 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/aa_volumes.txt 2651 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/config.ini 37341 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/data.cgTHF 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/ 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/CG_Q.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/CG_g_cnt.dat 378958 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/NAME 450 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/PVcurve.bw.0.25.dat 42 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/Q.dat 5517 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/THF_RDF.out 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/angle_E.dat 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/bond_E.dat 2662 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/cgTHF.lmp 24222 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/cg_rdf.xvg 598 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/config.ini 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/coul_E.dat 37341 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/data.cgTHF 123361 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/enthalpy.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/g_cnt.dat 378747 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/iter6.o39759138 123360 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/kinetic_E.dat 67689 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/log.cite 379932 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/log.lammps 158 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/log.txt 19290276 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/outfile.xtc 123352 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/potential_E.dat 125870 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/press.dat 553439 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/press_tens.dat 77 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/psi.dat 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/psub.sh 675 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/rdf.sh 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/state1.restart 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/state2.restart 123312 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/temp.dat 123352 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/vdw_E.dat 123375 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/get_rdf/vol.dat 67689 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/lammps_nb_THFTHF.table 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/psub.sh 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/ 24226 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/#mapped_aa_rdf.xvg.1# 24227 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/#mapped_aa_rdf.xvg.2# 13059 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/#md.log.1# 8551 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/THF_RDF.out 7145 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/THFrerun180.o39746401 7490 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/THFrerun180.o39746451 476 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/cg_THF.top 2236 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/cg_THF_NPT.mdp 810826 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/cg_pressures.xvg 750827 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/cg_volumes.xvg 37341 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/data.cgTHF 533 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/gromacs.sh 11705 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/index.ndx 24213 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/mapped_aa_rdf.xvg 53040 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/mappedaa.gro 1663855460 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/mappedaa.trr 12216511 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/md.log 12100 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/mdout.mdp 686 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/rdf.sh 6721116 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/rerun.edr 20212 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/rerun.tpr 170386 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/rerun/traj.trr 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/ 981761 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/180u.lmp 378220 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/NAME 404 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/PVcurve.bw.0.25.dat 5540 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/THF_RDF.out 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/angle_E.dat 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/bond_E.dat 2640 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/cgTHF.lmp 24214 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/cgrdf.xvg 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/coul_E.dat 37341 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/data.cgTHF 123413 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/enthalpy.dat 123352 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/kinetic_E.dat 67689 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/log.cite 379905 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/log.lammps 19289640 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/outfile.xtc 123390 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/potential_E.dat 125935 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/press.dat 553462 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/press_tens.dat 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/psub.sh 677 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/rdf.sh 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/state1.restart 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/state2.restart 123374 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/temp.dat 123390 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/vdw_E.dat 123366 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/180/ucurve/vol.dat 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/ 765090 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/aa_pressures.xvg 750805 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/aa_volumes.xvg 2651 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/config.ini 37343 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/data.cgTHF 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/ 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/CG_Q.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/CG_g_cnt.dat 378950 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/NAME 515 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/PVcurve.bw.0.25.dat 42 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/Q.dat 5479 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/THF_RDF.out 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/angle_E.dat 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/bond_E.dat 2662 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/cgTHF.lmp 24533 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/cg_rdf.xvg 598 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/config.ini 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/coul_E.dat 37343 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/data.cgTHF 123409 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/enthalpy.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/g_cnt.dat 378747 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/iter6.o39951164 123411 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/kinetic_E.dat 67718 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/log.cite 379924 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/log.lammps 158 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/log.txt 19305668 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/outfile.xtc 123429 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/potential_E.dat 125897 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/press.dat 553533 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/press_tens.dat 78 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/psi.dat 536 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/psub.sh 675 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/rdf.sh 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/state1.restart 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/state2.restart 123358 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/temp.dat 123429 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/vdw_E.dat 123391 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/get_rdf/vol.dat 67718 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/lammps_nb_THFTHF.table 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/psub.sh 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/ 24528 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/#mapped_aa_rdf.xvg.1# 24543 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/#mapped_aa_rdf.xvg.2# 13058 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/#md.log.1# 8509 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/THF_RDF.out 7490 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/THFrerun215.o39915835 2236 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/cg_NPT.mdp 476 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/cg_THF.top 780838 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/cg_pressures.xvg 750814 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/cg_volumes.xvg 11705 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/index.ndx 24545 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/mapped_aa_rdf.xvg 53040 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/mappedaa.gro 1663855460 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/mappedaa.trr 12216491 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/md.log 12095 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/mdout.mdp 686 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/rdf.sh 6721116 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/rerun.edr 533 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/rerun.sh 20212 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/rerun.tpr 170419 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/215/rerun/traj.trr 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/ 7374 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/THF.itp 109 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/THF.top 688949 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/confout.part0004.gro 260052 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/extra.tpr 2672 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/general.mdp 704 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/gromacs.sh 10966 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/mdout.mdp 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/no/ 5440 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/no/clusterout.out 688949 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/no/confout.part0001.gro 31801392 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/no/ener.part0001.edr 260052 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/no/extra.tpr 704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/no/gromacs.sh 31872588 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/no/md.part0001.log 241796 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/no/state.cpt 241796 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/no/state_prev.cpt --------- ------- 5172592515 180 files ===================================================== Content of ZIP archive thf-data-002.zip ===================================================== Archive: thf-data-002.zip Length Date Time Name --------- ---------- ----- ---- 17977559544 01-26-2024 19:45 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/aa_extra/no/traj.part0001.trr --------- ------- 17977559544 1 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thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/PVcurve.bw.0.25.dat 42 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/Q.dat 5462 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/THF_RDF.out 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/angle_E.dat 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/bond_E.dat 2656 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/cgTHF.lmp 24895 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/cg_rdf.xvg 598 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/config.ini 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/coul_E.dat 37339 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/data.cgTHF 123377 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/enthalpy.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/g_cnt.dat 378751 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/iter6.o39951195 123351 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/kinetic_E.dat 67731 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/log.cite 379924 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/log.lammps 158 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/log.txt 19321952 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/outfile.xtc 123394 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/potential_E.dat 125852 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/press.dat 553364 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/press_tens.dat 76 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/psi.dat 536 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/psub.sh 675 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/rdf.sh 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/state1.restart 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/state2.restart 123384 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/temp.dat 123394 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/vdw_E.dat 123380 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/get_rdf/vol.dat 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/psub.sh 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/ 24900 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/#mapped_aa_rdf.xvg.1# 24888 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/#mapped_aa_rdf.xvg.2# 8331 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/THF_RDF.out 8288 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/THFrerun250.o39915841 2236 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/cg_NPT.mdp 476 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/cg_THF.top 780819 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/cg_pressures.xvg 750797 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/cg_volumes.xvg 37400 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/data.cgTHF 11549 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/index.ndx 67731 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/lammps_nb_THFTHF.table 24900 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/mapped_aa_rdf.xvg 53040 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/mappedaa.gro 1663855460 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/mappedaa.trr 12216508 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/md.log 12095 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/mdout.mdp 686 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/rdf.sh 6721116 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/rerun.edr 533 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/rerun.sh 20212 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/rerun.tpr 170434 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/rerun/traj.trr 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/ 1382978 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/250_u_curve.txt 968523 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/250u.lmp 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/AA_g_cnt.dat 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/CG_Q.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/CG_g_cnt.dat 378226 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/NAME 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/PVcurve.bw.0.25.dat 42 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/Q.dat 6379 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/THF_RDF.out 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/angle_E.dat 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/bond_E.dat 2640 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/cgTHF.lmp 24895 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/cg_rdf.xvg 24895 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/cgrdf.xvg 598 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/config.ini 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/coul_E.dat 37339 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/data.cgTHF 123362 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/enthalpy.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/g_cnt.dat 378751 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/iter6.o39951195 123361 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/kinetic_E.dat 67731 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/log.cite 379911 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/log.lammps 158 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/log.txt 19326700 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/outfile.xtc 123378 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/potential_E.dat 125940 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/press.dat 553562 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/press_tens.dat 76 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/psi.dat 536 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/psub.sh 677 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/rdf.sh 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/state1.restart 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/state2.restart 123369 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/temp.dat 123378 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/vdw_E.dat 123365 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/250/ucurve/vol.dat 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/Analysis/6/ 420 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/Analysis/6/CG6distro.xvg 1784 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/Analysis/6/PVcurve.bw.0.1.dat 798 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/Analysis/6/PVcurve.bw.0.25.dat 765548 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/aa_pressures.xvg 750828 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/aa_volumes.xvg 2651 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/cgTHF.lmp 3467 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/clusterout.out 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/config.ini 37364 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/data.cgTHF 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/ 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/AA_g_cnt.dat 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/CG_Q.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/CG_g_cnt.dat 42 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/Q.dat 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/angle_E.dat 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/bond_E.dat 2659 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/cgTHF.lmp 598 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/config.ini 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/coul_E.dat 37364 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/data.cgTHF 123409 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/enthalpy.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/g_cnt.dat 378745 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/iter5.o39959599 123386 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/kinetic_E.dat 67750 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/log.cite 379923 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/log.lammps 158 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/log.txt 123342 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/potential_E.dat 125908 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/press.dat 553282 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/press_tens.dat 78 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/psi.dat 664 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/psub.sh 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/state1.restart 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/state2.restart 123391 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/temp.dat 123342 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/vdw_E.dat 123374 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter5/vol.dat 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/ 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/AA_g_cnt.dat 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/CG_Q.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/CG_g_cnt.dat 42 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/Q.dat 5522 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/THF_RDF.out 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/angle_E.dat 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/bond_E.dat 2658 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/cgTHF.lmp 25243 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/cg_rdf.xvg 598 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/config.ini 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/coul_E.dat 37364 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/data.cgTHF 123383 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/enthalpy.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/g_cnt.dat 378956 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/iter6 123361 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/kinetic_E.dat 67750 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/log.cite 379926 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/log.lammps 158 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/log.txt 19358092 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/outfile.xtc 123426 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/potential_E.dat 125965 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/press.dat 553437 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/press_tens.dat 78 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/psi.dat 538 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/psub.sh 676 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/rdf.sh 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/state1.restart 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/state2.restart 123354 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/temp.dat 123426 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/vdw_E.dat 123350 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/iter6/vol.dat 67750 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/psub.sh 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/ 6555 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/THF_RDF.out 7835 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/THFrerun285.o39950618 476 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/cg_THF.top 2236 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/cg_THF_NPT.mdp 37425 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/data.cgTHF 37425 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/data.cgTHF2 37447 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/data.cgTHF3 11705 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/index.ndx 67750 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/lammps_nb_THFTHF.table 25245 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/mapped_aa_rdf.xvg 53040 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/mappedaa.gro 1663855460 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/mappedaa.trr 12216514 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/md.log 12099 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/mdout.mdp 686 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/rdf.sh 6721116 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/rerun.edr 533 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/rerun.sh 20212 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/rerun.tpr 53040 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/starting_NVT_CG.gro 170454 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/traj.trr 3872 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/trajout.xtc 53069 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/285/rerun/whole_mappedaa.gro 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/ 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/ 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/CG_Q.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/CG_g_cnt.dat 378958 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/NAME 1079 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/PVcurve.bw.0.25.dat 42 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/Q.dat 5463 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/THF_RDF.out 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/angle_E.dat 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/bond_E.dat 2658 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/cgTHF.lmp 25681 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/cg_rdf.xvg 598 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/config.ini 48929 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/coul_E.dat 37371 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/data.cgTHF 123368 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/enthalpy.dat 18 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/g_cnt.dat 378749 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/iter6.o39952873 123398 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/kinetic_E.dat 67876 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/log.cite 379928 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/log.lammps 158 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/log.txt 19413636 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/outfile.xtc 123914 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/potential_E.dat 125987 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/press.dat 553388 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/press_tens.dat 78 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/psi.dat 536 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/psub.sh 676 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/rdf.sh 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/state1.restart 105566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/state2.restart 123373 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/temp.dat 123914 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/vdw_E.dat 123386 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/get_rdf/vol.dat 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/psub.sh 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/ 6611 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/THF_RDF.out 7450 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/THFrerun320.o39916040 2236 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/cg_NPT.mdp 476 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/cg_THF.top 780800 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/cg_pressures.xvg 750827 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/cg_volumes.xvg 37432 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/data.cgTHF 11549 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/index.ndx 67876 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/lammps_nb_THFTHF.table 25692 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/mapped_aa_rdf.xvg 53040 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/mappedaa.gro --------- ------- 5131992055 247 files ===================================================== Content of ZIP archive thf-data-008.zip ===================================================== Archive: thf-data-008.zip Length Date Time Name --------- ---------- ----- ---- 1663855460 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/mappedaa.trr 12216515 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/md.log 12095 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/mdout.mdp 686 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/rdf.sh 6721116 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/rerun.edr 533 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/rerun.sh 20212 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/rerun.tpr 170580 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/320/rerun/traj.trr 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/1_bar_state_points/psub.sh 0 01-28-2024 16:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/ 0 01-28-2024 16:12 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/ 139014 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/104_285.txt 134983 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/104_320.txt 165949 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/109_320.txt 900287 09-03-2023 10:20 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/215_2.dat 905112 09-02-2023 17:01 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/285_0.dat 908909 09-02-2023 17:01 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/285_1.dat 908871 09-02-2023 17:01 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/285_2.dat 901455 09-02-2023 16:58 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/320_0.dat 901091 09-02-2023 16:58 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/320_1.dat 901842 09-02-2023 16:58 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/320_2.dat 901245 09-03-2023 10:22 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/320_3.dat 901223 09-03-2023 10:23 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/320_4R.dat 59130 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/91_180.txt 70907 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/91_215.txt 59609 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/91_250.txt 56621 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/91_285.txt 62098 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/91_320.txt 71488 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/95_215.txt 78586 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/95_250.txt 88068 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/95_285.txt 85803 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/95_320.txt 99943 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/99_250.txt 99373 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/99_285.txt 94224 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/99_320.txt 901455 09-01-2023 15:30 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/Fv.dat 0 01-28-2024 16:13 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/ 139014 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/104_285.txt 134983 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/104_320.txt 165949 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/109_320.txt 59130 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/91_180.txt 70907 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/91_215.txt 59609 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/91_250.txt 56621 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/91_285.txt 62098 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/91_320.txt 71488 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/95_215.txt 78586 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/95_250.txt 88068 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/95_285.txt 85803 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/95_320.txt 99943 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/99_250.txt 99373 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/99_285.txt 94224 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/99_320.txt 860 09-03-2023 15:07 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/fixed_pair_input 0 01-28-2024 16:15 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/ 148040 09-03-2023 15:15 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/104_285.xyz 143749 09-03-2023 15:15 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/104_320.xyz 176725 09-03-2023 15:15 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/109_320.xyz 63098 09-03-2023 15:11 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/91_180.xyz 75667 09-03-2023 15:12 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/91_215.xyz 63609 09-03-2023 15:12 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/91_250.xyz 60421 09-03-2023 15:12 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/91_285.xyz 66266 09-03-2023 15:12 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/91_320.xyz 76286 09-03-2023 15:13 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/95_215.xyz 83860 09-03-2023 15:13 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/95_250.xyz 93976 09-03-2023 15:13 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/95_285.xyz 91563 09-03-2023 15:14 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/95_320.xyz 106617 09-03-2023 15:14 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/99_250.xyz 106001 09-03-2023 15:14 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/99_285.xyz 100524 09-03-2023 15:15 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/99_320.xyz 868 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/file_merger2.py 956 09-03-2023 16:08 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/fit_3D_dT.py 0 01-28-2024 16:09 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/ 1508 09-03-2023 16:12 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/WriteXY3.py 956 09-03-2023 16:08 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/fit_3D_dT.py 0 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/ 143023 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/104_285.xyz 138876 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/104_320.xyz 170734 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/109_320.xyz 60891 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/91_180.xyz 73021 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/91_215.xyz 61385 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/91_250.xyz 58308 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/91_285.xyz 63949 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/91_320.xyz 73619 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/95_215.xyz 80928 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/95_250.xyz 90690 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/95_285.xyz 88360 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/95_320.xyz 102906 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/99_250.xyz 102317 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/99_285.xyz 97022 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/original/99_320.xyz 0 09-13-2023 11:02 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/ 143023 09-03-2023 15:19 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/104_285.xyz 138876 09-03-2023 15:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/104_320.xyz 170734 09-03-2023 15:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/109_320.xyz 1396216 09-03-2023 16:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/180_u_curve.txt 1397987 09-03-2023 16:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/215_u_curve.txt 1400047 09-03-2023 16:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/250_u_curve.txt 1402184 09-03-2023 16:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/285_u_curve.txt 1405712 09-03-2023 16:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/320_u_curve.txt 60891 09-03-2023 15:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/91_180.xyz 73021 09-03-2023 15:20 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/91_215.xyz 61385 09-03-2023 15:20 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/91_250.xyz 58308 09-03-2023 15:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/91_285.xyz 63949 09-03-2023 15:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/91_320.xyz 73619 09-03-2023 15:20 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/95_215.xyz 80928 09-03-2023 15:20 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/95_250.xyz 90690 09-03-2023 15:19 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/95_285.xyz 88360 09-03-2023 15:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/95_320.xyz 102906 09-03-2023 15:20 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/99_250.xyz 102317 09-03-2023 15:19 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/99_285.xyz 97022 09-03-2023 15:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/99_320.xyz 1671 09-03-2023 16:16 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/WriteXY3.py 777 09-03-2023 15:22 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/file_merger.py 868 09-03-2023 15:22 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/file_merger2.py 956 09-03-2023 16:13 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/fit_3D_dT.py 150 09-03-2023 16:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/input.txt 1406028 09-03-2023 15:23 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/scaled_to_nm/spare/super_file2.xyz 0 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/ 148040 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/104_285.xyz 143749 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/104_320.xyz 176725 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/109_320.xyz 63098 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/91_180.xyz 75667 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/91_215.xyz 63609 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/91_250.xyz 60421 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/91_285.xyz 66266 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/91_320.xyz 76286 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/95_215.xyz 83860 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/95_250.xyz 93976 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/95_285.xyz 91563 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/95_320.xyz 106617 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/99_250.xyz 106001 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/99_285.xyz 100524 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/spare/99_320.xyz 1456401 09-03-2023 15:29 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair/fit_3D/xyz/super_file2.xyz 860 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/91_fixed_pair_input 0 01-28-2024 16:13 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/ 134102 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/104_285.txt 122138 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/104_320.txt 170947 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/109_320.txt 883951 09-02-2023 18:34 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/285_0.dat 883998 09-02-2023 19:20 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/285_1R.dat 883777 09-02-2023 19:21 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/285_2R.dat 884680 09-02-2023 18:38 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/320_0.dat 884646 09-02-2023 18:41 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/320_1.dat 61372 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/91_250.txt 63795 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/91_285.txt 61746 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/91_320.txt 72389 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/95_250.txt 73162 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/95_285.txt 75203 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/95_320.txt 100390 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/99_250.txt 92327 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/99_285.txt 99573 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/99_320.txt 0 09-03-2023 16:06 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/ 143046 09-03-2023 15:51 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/104_285.xyz 130284 09-03-2023 16:00 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/104_320.xyz 182349 09-03-2023 16:00 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/109_320.xyz 65606 09-03-2023 15:49 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/91_250.xyz 68195 09-03-2023 15:50 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/91_285.xyz 66008 09-03-2023 16:00 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/91_320.xyz 77383 09-03-2023 15:50 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/95_250.xyz 78210 09-03-2023 15:50 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/95_285.xyz 80389 09-03-2023 16:00 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/95_320.xyz 107278 09-03-2023 15:50 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/99_250.xyz 98655 09-03-2023 15:50 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/99_285.xyz 106409 09-03-2023 16:00 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/99_320.xyz 1759 09-03-2023 16:06 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/WriteXY3.py 868 09-03-2023 15:55 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/file_merger2.py 956 09-03-2023 15:57 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/fit_3D_dT.py 0 09-13-2023 11:44 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/ 138072 09-03-2023 15:54 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/104_285.xyz 125754 09-03-2023 16:00 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/104_320.xyz 176010 09-03-2023 16:00 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/109_320.xyz 1382978 09-03-2023 17:03 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/250_u_curve.txt 1380730 09-03-2023 17:03 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/285_u_curve.txt 1379052 09-03-2023 17:03 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/320_u_curve.txt 63252 09-03-2023 15:53 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/91_250.xyz 65749 09-03-2023 15:53 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/91_285.xyz 63639 09-03-2023 16:01 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/91_320.xyz 74607 09-03-2023 15:53 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/95_250.xyz 75404 09-03-2023 15:53 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/95_285.xyz 77508 09-03-2023 16:01 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/95_320.xyz 103450 09-03-2023 15:53 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/99_250.xyz 95138 09-03-2023 15:54 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/99_285.xyz 102609 09-03-2023 16:01 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/99_320.xyz 1935 09-03-2023 17:03 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/WriteXY3.py 868 09-03-2023 16:53 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/file_merger2.py 956 09-03-2023 16:53 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/fit_3D_dT.py 90 09-03-2023 17:00 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/input.txt 1161191 09-03-2023 16:57 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/scaled_to_ns/super_file2.xyz 1203811 09-03-2023 16:02 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair/xyz/super_file2.xyz 867 09-02-2023 21:56 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/99_fixed_pair_input 1958 01-28-2024 16:12 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/Write_PM_Forces.py 431 01-28-2024 16:17 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/instructions.txt 0 01-28-2024 16:13 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/ 128363 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/104_285.txt 126714 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/104_320.txt 161650 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/109_320.txt 70907 09-01-2023 11:17 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/90_215.txt 59130 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/91_180.txt 70907 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/91_215.txt 59609 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/91_250.txt 56621 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/91_285.txt 62098 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/91_320.txt 84607 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/95_215.txt 79277 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/95_250.txt 70079 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/95_285.txt 79337 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/95_320.txt 100390 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/99_250.txt 92327 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/99_285.txt 99573 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies/99_320.txt 845 09-01-2023 11:18 thf-data/CG_SIMS_DD_Universal/construct_3D_fit_for_Global_Model/pair_varies_input 0 01-28-2024 16:04 thf-data/CG_SIMS_DD_Universal/gathered_results/ 0 09-03-2023 19:57 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thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/91/320/cgrdf.xvg 151808 10-06-2023 16:03 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/91/RDFS_91_MIDREF.agr 160515 10-06-2023 16:03 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/91/RDFS_91_MIDREF.eps 0 10-06-2023 15:04 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/95/ 0 09-03-2023 21:23 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/95/215/ 0 09-03-2023 21:51 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/95/250/ 24553 09-03-2023 21:51 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/95/250/cgrdf.xvg 0 09-03-2023 21:51 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/95/285/ 24582 09-03-2023 21:51 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/95/285/cgrdf.xvg 0 09-03-2023 21:59 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/95/320/ 24575 09-03-2023 21:59 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/95/320/cgrdf.xvg 281294 10-06-2023 15:04 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/95/RDF_95_MID_Ref.agr 147477 10-06-2023 15:04 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/95/RDF_95_MID_Ref.eps 86361 10-06-2023 15:03 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/95/RDF_95_MID_Ref.png 0 10-08-2023 13:48 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/99/ 0 09-03-2023 21:54 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/99/250/ 24895 09-03-2023 21:54 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/99/250/cgrdf.xvg 0 09-03-2023 21:55 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/99/285/ 24872 09-03-2023 21:55 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/99/285/cgrdf.xvg 0 09-03-2023 21:55 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/99/320/ 24867 09-03-2023 21:55 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/99/320/cgrdf.xvg 155443 10-08-2023 13:48 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/99/RDFS_99_MIDREF.agr 163026 10-08-2023 13:48 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/99/RDFS_99_MIDREF.eps 141424 10-07-2023 18:18 thf-data/CG_SIMS_DD_Universal/gathered_results/RDFS/universal_99/RDFS_99_MIDREF.agr 0 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/input_file_examples/ 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/aa_simulations/ 661 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/aa_simulations/NPTgo.sh 7374 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/aa_simulations/THF.itp 109 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/aa_simulations/THF.top 2687 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/aa_simulations/general.mdp 2683 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/aa_simulations/general2.mdp 692 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/aa_simulations/gromacs.sh 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/cg_sim_info/ 2263 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/cg_sim_info/cg_THF.mdp 476 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/cg_sim_info/cg_THF.top 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/mapping_forcematching/ 1647 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/mapping_forcematching/THFgo.sh 595 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/mapping_forcematching/cg.btp 1894 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/mapping_forcematching/cg.mdp 730 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/mapping_forcematching/forcematch.sh 72 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/mapping_forcematching/inp.txt 659 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/mapping_forcematching/map.THF.top 501 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/mapping_forcematching/mapgo.sh 531 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/mapping_forcematching/par.txt 194 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/mapping_forcematching/tablego.sh 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/pressure_matching/ 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/pressure_matching/pgo.sh 541 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/pressure_matching/psub.sh 560 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/pressure_matching/rerun.sh 935 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/pressure_matching/rerungo.sh 829 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/pressure_matching/setpm.sh 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/rdf_files/ 544 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/rdf_files/2analyze_cgrdfgo.sh 53040 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/rdf_files/RDFCGTHF.gro 2261 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/rdf_files/RDFCGTHF.mdp 555 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/rdf_files/aa_rdfcheck.sh 566 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/rdf_files/analyze_cgrdfgo.sh 20516 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/rdf_files/cgTHFrdf.tpr 677 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/input_file_examples/rdf_files/rdf.sh 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/ 0 01-28-2024 16:02 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/180/ 1396216 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/180/180_u_curve.txt 981761 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/180/180u.lmp 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/ 983532 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/215u.lmp 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/Analysis/6/ 399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/Analysis/6/CG6distro.xvg 1187 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/Analysis/6/PVcurve.bw.0.1.dat 467 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/Analysis/6/PVcurve.bw.0.25.dat 765090 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/aa_pressures.xvg 750805 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/aa_volumes.xvg 2650 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/config.ini0 37343 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/ 50 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/cgTHF.lmp 810793 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/cg_pressures.xvg 750785 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/data.cgTHF 123400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/iter0 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/log.cite 379930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/log.txt 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/potential_E.dat 125873 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/press.dat 553696 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/state2.restart 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/temp.dat 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/vdw_E.dat 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/data.cgTHF 123395 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/iter1 123405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/log.cite 379933 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/log.txt 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/potential_E.dat 125913 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/press.dat 553398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/state2.restart 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/temp.dat 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/vdw_E.dat 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/data.cgTHF 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/iter2 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/log.cite 379931 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/log.txt 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/potential_E.dat 125963 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/press.dat 553548 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/state2.restart 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/temp.dat 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/vdw_E.dat 123379 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/data.cgTHF 123339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/iter3 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/log.cite 379931 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/log.txt 123312 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/potential_E.dat 125953 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/press.dat 553662 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/state2.restart 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/temp.dat 123312 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/vdw_E.dat 123397 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/data.cgTHF 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/iter4 123355 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/log.cite 379932 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/log.txt 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/potential_E.dat 125902 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/press.dat 553390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/state2.restart 123323 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/temp.dat 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/vdw_E.dat 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/data.cgTHF 123371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/g_cnt.dat 378953 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/iter5 123340 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/log.cite 379928 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/log.txt 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/potential_E.dat 125908 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/press.dat 553358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/state2.restart 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/temp.dat 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/vdw_E.dat 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/Q.dat 5483 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/bond_E.dat 2662 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/cgTHF.lmp 24536 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/cg_rdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/data.cgTHF 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/g_cnt.dat 378949 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/iter6 123359 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/log.cite 379923 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/log.txt 19310644 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/outfile.xtc 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/potential_E.dat 125881 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/press.dat 553481 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/psub.sh 675 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/state2.restart 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/temp.dat 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/vdw_E.dat 123411 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iter6/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/ 1397987 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/215_u_curve.txt 983532 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/215u.lmp 948532 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/215u2.lmp 378216 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/NAME 468 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/PVcurve.bw.0.25.dat 6380 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/bond_E.dat 2640 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/cgTHF.lmp 24527 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/data.cgTHF 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/enthalpy.dat 123337 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/log.cite 379901 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/log.lammps 19308608 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/outfile.xtc 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/potential_E.dat 125988 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/press.dat 553345 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/state2.restart 123420 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/temp.dat 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/vdw_E.dat 123402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/iterucurv/vol.dat 67691 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/ 2236 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/cg_NPT.mdp 476 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/cg_THF.top 810793 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/cg_pressures.xvg 750785 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/cg_volumes.xvg 11705 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/index.ndx 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/lammps_nb_THFTHF.table 53040 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/mappedaa.gro 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/mappedaa.trr 12216477 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/md.log 12032 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/mdout.mdp 8779 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/rerun.edr 560 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/rerun.tpr 170375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/95/rerun/traj.trr 67691 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/lammps_nb_THFTHF.table 170375 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215/table_THF_THF.xvg 1397987 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/215_u_curve.txt 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/ 985592 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/250u.lmp 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/Analysis/6/ 399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/Analysis/6/CG6distro.xvg 1131 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/Analysis/6/PVcurve.bw.0.1.dat 481 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/Analysis/6/PVcurve.bw.0.25.dat 764936 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/aa_pressures.xvg 750772 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/aa_volumes.xvg 2664 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/cgTHF.lmp 3472 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/clusterout.out 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/config.ini0 37342 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/ 378833 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/I0250.o39922970 50 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/cgTHF.lmp 810803 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/cg_pressures.xvg 750793 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/data.cgTHF 123333 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/iter0 123332 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/log.cite 379947 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/log.txt 123334 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/potential_E.dat 123399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/press.dat 553458 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/state2.restart 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/temp.dat 123334 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/vdw_E.dat 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/data.cgTHF 123360 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/iter1 123358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/log.cite 379944 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/log.txt 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/potential_E.dat 123338 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/press.dat 553431 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/state2.restart 123405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/temp.dat 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/vdw_E.dat 123406 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/data.cgTHF 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/g_cnt.dat 378952 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/iter2 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/log.cite 379941 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/log.txt 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/potential_E.dat 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/press.dat 553439 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/state2.restart 123338 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/temp.dat 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/vdw_E.dat 123355 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/data.cgTHF 123414 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/g_cnt.dat 378953 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/iter3 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/log.cite 379942 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/log.txt 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/potential_E.dat 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/press.dat 553371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/state2.restart 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/temp.dat 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/vdw_E.dat 123405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/data.cgTHF 123398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/iter4 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/log.cite 379947 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/log.txt 123355 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/potential_E.dat 123336 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/press.dat 553312 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/state2.restart 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/temp.dat 123355 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/vdw_E.dat 123335 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/data.cgTHF 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/iter5 123379 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/log.cite 379947 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/log.txt 123423 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/potential_E.dat 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/press.dat 553350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/state2.restart 123330 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/temp.dat 123423 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/vdw_E.dat 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/ 24581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/#cg_rdf.xvg.1# 24583 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/#cg_rdf.xvg.2# 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/Q.dat 5853 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/bond_E.dat 2676 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/cgTHF.lmp 24598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/cg_rdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/data.cgTHF 123392 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/iter6 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/log.cite 379942 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/log.txt 19308036 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/outfile.xtc 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/potential_E.dat 123431 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/press.dat 553344 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/psub.sh 675 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/state2.restart 123429 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/temp.dat 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/vdw_E.dat 123346 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/iter6/vol.dat 67691 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/ 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/cg_THF.mdp 476 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/cg_THF.top 810803 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/cg_pressures.xvg 750793 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/cg_volumes.xvg 37400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/data.cgTHF 11549 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/index.ndx 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/lammps_nb_THFTHF.table 53040 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/mappedaa.gro --------- ------- 5198084105 1177 files ===================================================== Content of ZIP archive thf-data-009.zip ===================================================== Archive: thf-data-009.zip Length Date Time Name --------- ---------- ----- ---- 1663855460 01-26-2024 19:56 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/mappedaa.trr 12219591 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/md.log 12046 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/mdout.mdp 8824 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/rerun.tpr 170368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/ 985592 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/250u.lmp 378221 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/NAME 478 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/PVcurve.bw.0.25.dat 6369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/cgTHF.lmp 24592 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/data.cgTHF 123323 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/enthalpy.dat 123398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/log.cite 379918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/log.lammps 19305608 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/outfile.xtc 123379 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/potential_E.dat 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/press.dat 553597 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/state2.restart 123347 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/temp.dat 123379 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/vdw_E.dat 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/95/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/Analysis/6/ 403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/Analysis/6/CG6distro.xvg 1552 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/Analysis/6/PVcurve.bw.0.1.dat 613 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/Analysis/6/PVcurve.bw.0.25.dat 765477 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/aa_pressures.xvg 750798 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/aa_volumes.xvg 2650 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/config.ini0 37339 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/ 52 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/cgTHF.lmp 810805 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/cg_pressures.xvg 750788 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/coul_E.dat 37339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/data.cgTHF 123289 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/iter0 123328 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/log.cite 379933 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/log.txt 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/potential_E.dat 125922 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/press.dat 553488 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/state2.restart 123348 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/temp.dat 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/vdw_E.dat 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/coul_E.dat 37339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/data.cgTHF 123416 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/iter1 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/log.cite 379931 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/log.txt 123363 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/potential_E.dat 125924 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/press.dat 553418 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/state2.restart 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/temp.dat 123363 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/vdw_E.dat 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/coul_E.dat 37339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/data.cgTHF 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/iter2 123397 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/log.cite 379930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/log.txt 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/potential_E.dat 125886 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/press.dat 553420 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/state2.restart 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/temp.dat 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/vdw_E.dat 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/coul_E.dat 37339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/data.cgTHF 123435 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/iter3 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/log.cite 379931 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/log.txt 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/potential_E.dat 125895 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/press.dat 553429 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/state2.restart 123352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/temp.dat 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/vdw_E.dat 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/coul_E.dat 37339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/data.cgTHF 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/g_cnt.dat 378959 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/iter4 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/log.cite 379934 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/log.txt 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/potential_E.dat 125957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/press.dat 553314 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/state2.restart 123378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/temp.dat 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/vdw_E.dat 123334 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/bond_E.dat 2663 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/coul_E.dat 37339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/data.cgTHF 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/g_cnt.dat 378959 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/iter5 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/log.cite 379934 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/log.txt 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/potential_E.dat 125913 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/press.dat 553378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/state2.restart 123345 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/temp.dat 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/vdw_E.dat 123398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/Q.dat 5463 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/bond_E.dat 2662 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/cgTHF.lmp 24877 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/cg_rdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/coul_E.dat 37339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/data.cgTHF 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/iter6 123431 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/log.cite 379930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/log.txt 19321872 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/outfile.xtc 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/potential_E.dat 125949 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/press.dat 553254 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/psub.sh 675 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/state2.restart 123397 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/temp.dat 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/vdw_E.dat 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/iter6/vol.dat 67691 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/ 12216508 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/#md.log.1# 2236 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/cg_NPT.mdp 476 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/cg_THF.top 810805 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/cg_pressures.xvg 750788 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/cg_volumes.xvg 37400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/data.cgTHF 11549 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/index.ndx 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/lammps_nb_THFTHF.table 53040 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/mappedaa.gro 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/mappedaa.trr 12216497 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/md.log 12095 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/mdout.mdp 8831 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/rerun.tpr 170368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/ 985592 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/250u.lmp 378222 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/NAME 614 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/PVcurve.bw.0.25.dat 6406 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/bond_E.dat 2641 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/cgTHF.lmp 24885 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/coul_E.dat 37339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/data.cgTHF 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/enthalpy.dat 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/log.cite 379907 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/log.lammps 19323816 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/outfile.xtc 123371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/potential_E.dat 125935 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/press.dat 553448 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/state2.restart 123394 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/temp.dat 123371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/vdw_E.dat 123323 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/99/ucurve/vol.dat 67691 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/lammps_nb_THFTHF.table 170368 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250/table_THF_THF.xvg 1400047 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/250_u_curve.txt 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/Analysis/6/ 420 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/Analysis/6/CG6distro.xvg 2000 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/Analysis/6/PVcurve.bw.0.1.dat 831 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/Analysis/6/PVcurve.bw.0.25.dat 765548 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/aa_pressures.xvg 750828 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/aa_volumes.xvg 2651 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/config.ini0 37364 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/ 52 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/bond_E.dat 2669 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/cgTHF.lmp 2698 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/cgTHF.lmp2 810804 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/cg_pressures.xvg 750785 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/data.cgTHF 37386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/data.cgTHF3 37341 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/data.cgTHF4 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/g_cnt.dat 711377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/iter0 4158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/iter0.o39951111 4158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/iter0.o39951255 378669 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/iter0.o39952151 123418 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/log.cite 379933 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/log.txt 123394 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/potential_E.dat 125864 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/press.dat 553515 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/state2.restart 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/temp.dat 123394 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/vdw_E.dat 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/bond_E.dat 2664 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/data.cgTHF 123397 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/g_cnt.dat 632076 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/iter1 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/log.cite 379930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/log.txt 128094 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/potential_E.dat 125951 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/press.dat 593525 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/state2.restart 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/temp.dat 128094 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/vdw_E.dat 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/bond_E.dat 2668 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/data.cgTHF 123397 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/g_cnt.dat 757912 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/iter2 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/log.cite 379936 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/log.txt 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/potential_E.dat 125934 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/press.dat 553280 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/state2.restart 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/temp.dat 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/vdw_E.dat 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/bond_E.dat 2669 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/data.cgTHF 123352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/iter3 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/log.cite 379935 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/log.txt 123352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/potential_E.dat 125836 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/press.dat 553561 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/state2.restart 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/temp.dat 123352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/vdw_E.dat 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/bond_E.dat 2669 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/data.cgTHF 123378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/iter4 123395 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/log.cite 379935 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/log.txt 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/potential_E.dat 125880 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/press.dat 553463 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/state2.restart 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/temp.dat 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/vdw_E.dat 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/bond_E.dat 2669 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/data.cgTHF 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/iter5 123399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/log.cite 379938 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/log.txt 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/potential_E.dat 125933 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/press.dat 553461 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/state2.restart 123398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/temp.dat 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/vdw_E.dat 123395 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/Q.dat 5477 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/bond_E.dat 2668 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/cgTHF.lmp 25226 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/cg_rdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/data.cgTHF 123356 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/iter6 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/log.cite 379935 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/log.txt 19366172 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/outfile.xtc 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/potential_E.dat 125941 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/press.dat 553483 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/psub.sh 676 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/state2.restart 123406 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/temp.dat 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/vdw_E.dat 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/iter6/vol.dat 67703 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/pgo.sh 538 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/ 7835 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/THFrerun285.o39950618 476 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/cg_THF.top 2236 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/cg_THF_NPT.mdp 810804 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/cg_pressures.xvg 750785 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/cg_volumes.xvg 11705 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/index.ndx 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/lammps_nb_THFTHF.table 53040 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/mappedaa.gro --------- ------- 5179049581 545 files ===================================================== Content of ZIP archive thf-data-010.zip ===================================================== Archive: thf-data-010.zip Length Date Time Name --------- ---------- ----- ---- 1663855460 01-26-2024 19:56 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/mappedaa.trr 12216487 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/md.log 12037 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/mdout.mdp 8803 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/rerun.tpr 53040 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/starting_NVT_CG.gro 170369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/traj.trr 53069 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/rerun/whole_mappedaa.gro 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/ 987729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/285u.lmp 378222 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/NAME 873 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/PVcurve.bw.0.25.dat 6375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/bond_E.dat 2640 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/cgTHF.lmp 25249 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/data.cgTHF 123380 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/enthalpy.dat 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/log.cite 379907 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/log.lammps 19362280 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/outfile.xtc 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/potential_E.dat 126042 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/press.dat 553406 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/press_tens.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/state2.restart 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/temp.dat 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/vdw_E.dat 123334 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/104/ucurve/vol.dat 987729 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/285u.lmp 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/Analysis/6/ 399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/Analysis/6/CG6distro.xvg 1383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/Analysis/6/PVcurve.bw.0.1.dat 533 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/Analysis/6/PVcurve.bw.0.25.dat 777896 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/aa_pressures.xvg 750779 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/aa_volumes.xvg 2664 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/config.ini0 37342 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/ 50 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/cgTHF.lmp 810791 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/cg_pressures.xvg 750800 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/data.cgTHF 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/iter0 123349 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/log.cite 379944 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/log.txt 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/potential_E.dat 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/press.dat 553417 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/state2.restart 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/temp.dat 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/vdw_E.dat 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/data.cgTHF 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/iter1 123413 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/log.cite 379946 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/log.txt 123345 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/potential_E.dat 123368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/press.dat 553228 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/state2.restart 123399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/temp.dat 123345 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/vdw_E.dat 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/data.cgTHF 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/iter2 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/log.cite 379947 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/log.txt 123405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/potential_E.dat 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/press.dat 553273 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/state2.restart 123378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/temp.dat 123405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/vdw_E.dat 123327 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/data.cgTHF 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/iter3 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/log.cite 379943 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/log.txt 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/potential_E.dat 123305 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/press.dat 553456 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/state2.restart 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/temp.dat 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/vdw_E.dat 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/data.cgTHF 123360 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/iter4 123422 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/log.cite 379945 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/log.txt 123336 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/potential_E.dat 123416 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/press.dat 553416 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/state2.restart 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/temp.dat 123336 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/vdw_E.dat 123305 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/data.cgTHF 123320 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/iter5 123410 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/log.cite 379946 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/log.txt 123421 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/potential_E.dat 123411 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/press.dat 553229 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/state2.restart 123378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/temp.dat 123421 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/vdw_E.dat 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/Q.dat 5567 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/bond_E.dat 2676 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/cgTHF.lmp 24576 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/cg_rdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/data.cgTHF 123329 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/iter6 123329 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/log.cite 379942 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/log.txt 19302080 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/outfile.xtc 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/potential_E.dat 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/press.dat 553402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/psub.sh 675 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/state2.restart 123445 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/temp.dat 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/vdw_E.dat 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/iter6/vol.dat 67703 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/ 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/cg_THF.mdp 810791 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/cg_pressures.xvg 750800 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/cg_volumes.xvg 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/lammps_nb_THFTHF.table 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/mappedaa.trr 12219597 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/md.log 12073 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/mdout.mdp 8748 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/rerun.tpr 170369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/ 987729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/285u.lmp 378221 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/NAME 493 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/PVcurve.bw.0.25.dat 6379 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/cgTHF.lmp 24571 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/data.cgTHF 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/enthalpy.dat 123324 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/log.cite 379918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/log.lammps 19303496 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/outfile.xtc 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/potential_E.dat 123323 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/press.dat 553419 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/state2.restart 123400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/temp.dat 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/vdw_E.dat 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/95/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/Analysis/6/ 403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/Analysis/6/CG6distro.xvg 1708 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/Analysis/6/PVcurve.bw.0.1.dat 617 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/Analysis/6/PVcurve.bw.0.25.dat 762311 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/aa_pressures.xvg 750749 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/aa_volumes.xvg 2664 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/config.ini0 37353 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/ 50 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/bond_E.dat 2677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/cgTHF.lmp 810805 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/cg_pressures.xvg 750797 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/data.cgTHF 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/g_cnt.dat 378952 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/iter0 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/log.cite 379941 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/log.txt 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/potential_E.dat 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/press.dat 553179 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/state2.restart 123341 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/temp.dat 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/vdw_E.dat 123399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/data.cgTHF 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/g_cnt.dat 378948 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/iter1 123409 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/log.cite 379942 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/log.txt 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/potential_E.dat 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/press.dat 553421 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/state2.restart 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/temp.dat 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/vdw_E.dat 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/data.cgTHF 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/iter2 123396 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/log.cite 379949 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/log.txt 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/potential_E.dat 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/press.dat 553267 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/state2.restart 123379 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/temp.dat 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/vdw_E.dat 123347 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/data.cgTHF 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/g_cnt.dat 378952 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/iter3 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/log.cite 379946 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/log.txt 123398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/potential_E.dat 123360 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/press.dat 553327 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/state2.restart 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/temp.dat 123398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/vdw_E.dat 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/data.cgTHF 123410 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/iter4 123349 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/log.cite 379948 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/log.txt 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/potential_E.dat 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/press.dat 553378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/state2.restart 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/temp.dat 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/vdw_E.dat 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/data.cgTHF 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/g_cnt.dat 378951 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/iter5 123432 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/log.cite 379945 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/log.txt 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/potential_E.dat 123371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/press.dat 553425 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/state2.restart 123325 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/temp.dat 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/vdw_E.dat 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/Q.dat 5498 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/bond_E.dat 2681 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/cgTHF.lmp 24856 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/cg_rdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/data.cgTHF 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/iter6 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/log.cite 379947 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/log.txt 19326752 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/outfile.xtc 123301 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/potential_E.dat 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/press.dat 553263 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/psub.sh 675 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/state2.restart 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/temp.dat 123301 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/vdw_E.dat 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/iter6/vol.dat 67703 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/ 780789 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/#cg_pressures.xvg.1# 750767 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/#cg_volumes.xvg.1# 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/cg_THF.mdp 810805 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/cg_pressures.xvg 750797 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/cg_volumes.xvg 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/lammps_nb_THFTHF.table --------- ------- 5166119422 531 files ===================================================== Content of ZIP archive thf-data-011.zip ===================================================== Archive: thf-data-011.zip Length Date Time Name --------- ---------- ----- ---- 1663855460 01-26-2024 19:56 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/mappedaa.trr 12219593 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/md.log 12073 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/mdout.mdp 8843 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/rerun.tpr 170369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/ 987729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/285u.lmp 378220 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/NAME 595 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/PVcurve.bw.0.25.dat 6450 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/cgTHF.lmp 24865 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/data.cgTHF 123427 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/enthalpy.dat 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/log.cite 379917 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/log.lammps 19319564 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/outfile.xtc 123396 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/potential_E.dat 123379 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/press.dat 553335 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/state2.restart 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/temp.dat 123396 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/vdw_E.dat 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/99/ucurve/vol.dat 67703 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/lammps_nb_THFTHF.table 170369 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285/table_THF_THF.xvg 1402184 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/285_u_curve.txt 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/Analysis/6/ 420 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/Analysis/6/CG6distro.xvg 2168 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/Analysis/6/PVcurve.bw.0.1.dat 781 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/Analysis/6/PVcurve.bw.0.25.dat 761294 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/aa_pressures.xvg 750774 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/aa_volumes.xvg 2664 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/config.ini0 37352 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/ 50 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/cgTHF.lmp 810805 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/cg_pressures.xvg 750771 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/data.cgTHF 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/iter0 123410 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/log.cite 379948 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/log.txt 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/potential_E.dat 123358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/press.dat 553424 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/state2.restart 123415 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/temp.dat 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/vdw_E.dat 123371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/data.cgTHF 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/iter1 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/log.cite 379948 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/log.txt 123408 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/potential_E.dat 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/press.dat 553248 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/state2.restart 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/temp.dat 123408 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/vdw_E.dat 123402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/data.cgTHF 123333 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/iter2 123349 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/log.cite 379949 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/log.txt 123347 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/potential_E.dat 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/press.dat 553496 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/state2.restart 123404 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/temp.dat 123347 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/vdw_E.dat 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/data.cgTHF 123421 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/iter3 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/log.cite 379949 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/log.txt 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/potential_E.dat 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/press.dat 553344 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/state2.restart 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/temp.dat 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/vdw_E.dat 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/bond_E.dat 2681 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/data.cgTHF 123364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/iter4 123400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/log.cite 379948 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/log.txt 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/potential_E.dat 123319 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/press.dat 553164 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/state2.restart 123349 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/temp.dat 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/vdw_E.dat 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/data.cgTHF 123346 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/iter5 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/log.cite 379948 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/log.txt 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/potential_E.dat 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/press.dat 553358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/state2.restart 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/temp.dat 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/vdw_E.dat 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/Q.dat 5470 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/bond_E.dat 2681 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/cgTHF.lmp 25279 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/cg_rdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/data.cgTHF 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/iter6 123398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/log.cite 379948 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/log.txt 19357860 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/outfile.xtc 123344 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/potential_E.dat 123363 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/press.dat 553301 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/psub.sh 676 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/state2.restart 123416 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/temp.dat 123344 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/vdw_E.dat 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/iter6/vol.dat 67704 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/pgo.sh 538 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/ 12219604 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/#md.log.1# 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/cg_THF.mdp 810805 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/cg_pressures.xvg 750771 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/cg_volumes.xvg 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/lammps_nb_THFTHF.table 1663855460 01-26-2024 19:56 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/mappedaa.trr 12219609 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/md.log 12074 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/mdout.mdp 8814 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/rerun.tpr 170358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/ 991257 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/320u.lmp 378222 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/NAME 740 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/PVcurve.bw.0.25.dat 6383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/cgTHF.lmp 25286 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/data.cgTHF 123335 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/enthalpy.dat 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/log.cite 379919 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/log.lammps 19361272 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/outfile.xtc 123435 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/potential_E.dat 123352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/press.dat 553386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/press_tens.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/state2.restart 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/temp.dat 123435 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/vdw_E.dat 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/104/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/Analysis/6/ 420 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/Analysis/6/CG6distro.xvg 2610 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/Analysis/6/PVcurve.bw.0.1.dat 1042 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/Analysis/6/PVcurve.bw.0.25.dat 765519 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/aa_pressures.xvg 750792 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/aa_volumes.xvg 2651 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/config.ini0 37371 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/CG_Q.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/CG_g_cnt.dat 378833 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/I0_320.o39923906 50 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/bond_E.dat 2669 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/cgTHF.lmp 810791 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/cg_pressures.xvg 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/cg_time.xvg 750780 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/data.cgTHF 123405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/iter0 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/log.cite 379938 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/log.txt 123406 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/potential_E.dat 125959 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/press.dat 553601 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/state2.restart 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/temp.dat 123406 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/vdw_E.dat 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/bond_E.dat 2669 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/data.cgTHF 123416 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/iter1 123360 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/log.cite 379937 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/log.txt 123380 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/potential_E.dat 125938 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/press.dat 553327 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/state2.restart 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/temp.dat 123380 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/vdw_E.dat 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/bond_E.dat 2668 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/data.cgTHF 123320 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/iter2 123349 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/log.cite 379937 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/log.txt 123334 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/potential_E.dat 125949 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/press.dat 553368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/state2.restart 123396 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/temp.dat 123334 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/vdw_E.dat 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/bond_E.dat 2669 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/data.cgTHF 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/iter3 123349 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/log.cite 379939 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/log.txt 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/potential_E.dat 126012 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/press.dat 553388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/state2.restart 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/temp.dat 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/vdw_E.dat 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/bond_E.dat 2669 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/data.cgTHF 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/iter4 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/log.cite 379939 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/log.txt 123368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/potential_E.dat 125980 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/press.dat 553342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/state2.restart 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/temp.dat 123368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/vdw_E.dat 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/bond_E.dat 2668 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/data.cgTHF 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/g_cnt.dat 378953 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/iter5 123394 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/log.cite 379933 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/log.txt 123326 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/potential_E.dat 125968 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/press.dat 553157 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/state2.restart 123323 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/temp.dat 123326 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/vdw_E.dat 123404 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/Q.dat 5513 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/bond_E.dat 2667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/cgTHF.lmp 25689 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/cg_rdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/data.cgTHF 123404 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/iter6 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/log.cite 379933 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/log.txt 19421864 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/outfile.xtc 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/potential_E.dat 125921 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/press.dat 553377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/press_tens.dat 80 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/psub.sh 676 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/state2.restart 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/temp.dat 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/vdw_E.dat 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/iter6/vol.dat 67704 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/pgo.sh 538 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/ 2236 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/cg_NPT.mdp 476 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/cg_THF.top 810791 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/cg_pressures.xvg 750780 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/cg_volumes.xvg 37432 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/data.cgTHF 11549 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/index.ndx 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/lammps_nb_THFTHF.table 53040 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/mappedaa.gro --------- ------- 5178393945 540 files ===================================================== Content of ZIP archive thf-data-012.zip ===================================================== Archive: thf-data-012.zip Length Date Time Name --------- ---------- ----- ---- 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/mappedaa.trr 8986545 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/md.log 12033 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/mdout.mdp 6736 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/rerun.tpr 170358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/ 991257 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/320u.lmp 378223 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/NAME 1339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/PVcurve.bw.0.25.dat 6375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/bond_E.dat 2640 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/cgTHF.lmp 25685 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/data.cgTHF 123409 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/enthalpy.dat 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/log.cite 379908 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/log.lammps 19421300 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/outfile.xtc 123378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/potential_E.dat 126038 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/press.dat 553468 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/press_tens.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/state2.restart 123346 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/temp.dat 123378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/vdw_E.dat 123378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/109/ucurve/vol.dat 991257 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/320u.lmp 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/Analysis/6/ 399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/Analysis/6/CG6distro.xvg 1369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/Analysis/6/PVcurve.bw.0.1.dat 508 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/Analysis/6/PVcurve.bw.0.25.dat 780584 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/aa_pressures.xvg 750784 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/aa_volumes.xvg 2663 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/config.ini0 37342 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/ 52 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/bond_E.dat 2676 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/cgTHF.lmp 810793 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/cg_pressures.xvg 750809 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/data.cgTHF 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/g_cnt.dat 378056 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/iter0 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/log.cite 379944 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/log.txt 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/potential_E.dat 123345 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/press.dat 553223 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/state2.restart 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/temp.dat 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/vdw_E.dat 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/bond_E.dat 2676 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/data.cgTHF 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/iter1 123341 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/log.cite 379943 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/log.txt 123340 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/potential_E.dat 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/press.dat 553451 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/state2.restart 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/temp.dat 123340 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/vdw_E.dat 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/bond_E.dat 2676 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/data.cgTHF 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/iter2 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/log.cite 379945 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/log.txt 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/potential_E.dat 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/press.dat 553295 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/state2.restart 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/temp.dat 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/vdw_E.dat 123348 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/bond_E.dat 2676 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/data.cgTHF 123326 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/iter3 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/log.cite 379946 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/log.txt 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/potential_E.dat 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/press.dat 553525 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/state2.restart 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/temp.dat 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/vdw_E.dat 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/bond_E.dat 2676 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/data.cgTHF 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/iter4 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/log.cite 379944 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/log.txt 123333 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/potential_E.dat 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/press.dat 553364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/state2.restart 123417 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/temp.dat 123333 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/vdw_E.dat 123415 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/bond_E.dat 2676 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/data.cgTHF 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/iter5 123339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/log.cite 379945 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/log.txt 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/potential_E.dat 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/press.dat 553317 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/state2.restart 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/temp.dat 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/vdw_E.dat 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/Q.dat 5579 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/bond_E.dat 2675 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/cgTHF.lmp 24570 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/cg_rdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/data.cgTHF 123336 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/iter6 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/log.cite 379941 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/log.txt 19303212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/outfile.xtc 123348 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/potential_E.dat 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/press.dat 553243 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/psub.sh 675 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/state2.restart 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/temp.dat 123348 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/vdw_E.dat 123398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/iter6/vol.dat 67704 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/ 26990 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/#cg_pressures.xvg.1# 25019 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/#cg_volumes.xvg.1# 12219589 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/#md.log.1# 408409 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/#md.log.2# 218396 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/#rerun.edr.1# 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/#traj.trr.1# 26990496 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/#traj.trr.2# 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/cg_THF.mdp 810793 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/cg_pressures.xvg 750809 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/cg_volumes.xvg 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/lammps_nb_THFTHF.table 1663855460 01-26-2024 19:56 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/mappedaa.trr 12219594 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/md.log 12073 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/mdout.mdp 9018 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/rerun.tpr 170358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/table_THF_THF.xvg --------- ------- 5135562432 279 files ===================================================== Content of ZIP archive thf-data-013.zip ===================================================== Archive: thf-data-013.zip Length Date Time Name --------- ---------- ----- ---- 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/ 991257 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/320u.lmp 378221 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/NAME 482 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/PVcurve.bw.0.25.dat 6388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/cgTHF.lmp 24576 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/data.cgTHF 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/enthalpy.dat 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/log.cite 379918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/log.lammps 19306888 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/outfile.xtc 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/potential_E.dat 123416 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/press.dat 553312 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/state2.restart 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/temp.dat 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/vdw_E.dat 123323 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/95/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/Analysis/6/ 402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/Analysis/6/CG6distro.xvg 1452 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/Analysis/6/PVcurve.bw.0.1.dat 606 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/Analysis/6/PVcurve.bw.0.25.dat 773449 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/aa_pressures.xvg 750774 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/aa_volumes.xvg 2664 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/config.ini0 37353 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/ 52 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/bond_E.dat 2681 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/cgTHF.lmp 810791 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/cg_pressures.xvg 750794 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/data.cgTHF 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/iter0 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/log.cite 379947 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/log.txt 123407 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/potential_E.dat 123392 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/press.dat 553459 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/state2.restart 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/temp.dat 123407 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/vdw_E.dat 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/bond_E.dat 2681 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/data.cgTHF 123397 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/g_cnt.dat 378950 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/iter1 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/log.cite 379943 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/log.txt 123325 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/potential_E.dat 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/press.dat 553354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/state2.restart 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/temp.dat 123325 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/vdw_E.dat 123416 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/data.cgTHF 123336 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/iter2 123349 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/log.cite 379949 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/log.txt 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/potential_E.dat 123414 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/press.dat 553238 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/state2.restart 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/temp.dat 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/vdw_E.dat 123359 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/data.cgTHF 123408 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/g_cnt.dat 378952 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/iter3 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/log.cite 379946 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/log.txt 123409 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/potential_E.dat 123412 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/press.dat 553407 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/state2.restart 123409 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/temp.dat 123409 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/vdw_E.dat 123416 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/bond_E.dat 2682 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/data.cgTHF 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/iter4 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/log.cite 379949 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/log.txt 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/potential_E.dat 123345 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/press.dat 553286 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/state2.restart 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/temp.dat 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/vdw_E.dat 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/bond_E.dat 2681 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/data.cgTHF 123368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/g_cnt.dat 378952 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/iter5 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/log.cite 379945 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/log.txt 123406 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/potential_E.dat 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/press.dat 553456 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/state2.restart 123410 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/temp.dat 123406 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/vdw_E.dat 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/Q.dat 5503 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/bond_E.dat 2681 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/cgTHF.lmp 24876 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/cg_rdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/data.cgTHF 123371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/g_cnt.dat 378952 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/iter6 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/log.cite 379945 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/log.txt 19321544 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/outfile.xtc 123346 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/potential_E.dat 123341 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/press.dat 553235 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/press_tens.dat 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/psub.sh 675 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/state2.restart 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/temp.dat 123346 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/vdw_E.dat 123325 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/iter6/vol.dat 67704 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/ 12219594 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/#md.log.1# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/#rerun.edr.1# 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/cg_THF.mdp 810791 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/cg_pressures.xvg 750794 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/cg_volumes.xvg 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/lammps_nb_THFTHF.table 91226112 02-15-2024 19:56 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/mappedaa.trr 12219600 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/md.log 12073 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/mdout.mdp 8911 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/rerun.tpr 170358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/ 991257 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/320u.lmp 378222 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/NAME 577 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/PVcurve.bw.0.25.dat 6387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/cgTHF.lmp 24892 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/data.cgTHF 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/enthalpy.dat 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/log.cite 379919 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/log.lammps 19322724 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/outfile.xtc 123424 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/potential_E.dat 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/press.dat 553337 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/state2.restart 123364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/temp.dat 123424 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/vdw_E.dat 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/99/ucurve/vol.dat 67704 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/lammps_nb_THFTHF.table 170358 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320/table_THF_THF.xvg 1405712 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/320_u_curve.txt 3465 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/clusterout.out 780 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_91/setpm.sh 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/ 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/ 1382978 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/250_u_curve.txt 968523 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/250u.lmp 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/Analysis/6/ 399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/Analysis/6/CG6distro.xvg 983 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/Analysis/6/PVcurve.bw.0.1.dat 396 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/Analysis/6/PVcurve.bw.0.25.dat 780211 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/aa_pressures.xvg 750765 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/aa_volumes.xvg 2660 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/config.ini0 37343 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/ 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/NAME 49 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/bond_E.dat 2673 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/cgTHF.lmp 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/cg_THF.mdp 810792 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/cg_pressures.xvg 750801 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/data.cgTHF 123368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/g_cnt.dat 123380 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/log.cite 379940 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/log.txt 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/potential_E.dat 123411 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/press.dat 551326 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/psi.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/state2.restart 123412 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/temp.dat 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/vdw_E.dat 123337 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/bond_E.dat 2672 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/data.cgTHF 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/iter1 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/log.cite 379940 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/log.txt 123395 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/potential_E.dat 123427 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/press.dat 553337 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/press_tens.dat 77 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/state2.restart 123312 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/temp.dat 123395 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/vdw_E.dat 123410 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/bond_E.dat 2667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/data.cgTHF 123430 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/iter2 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/log.cite 379936 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/log.txt 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/potential_E.dat 123358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/press.dat 553433 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/state2.restart 123335 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/temp.dat 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/vdw_E.dat 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/bond_E.dat 2667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/data.cgTHF 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/iter3 123360 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/log.cite 379937 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/log.txt 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/potential_E.dat 123427 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/press.dat 553383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/state2.restart 123380 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/temp.dat 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/vdw_E.dat 123399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/bond_E.dat 2667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/data.cgTHF 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/iter4 123397 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/log.cite 379937 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/log.txt 123356 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/potential_E.dat 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/press.dat 553302 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/state2.restart 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/temp.dat 123356 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/vdw_E.dat 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/bond_E.dat 2667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/data.cgTHF 123310 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/iter5 123332 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/log.cite 379935 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/log.txt 123440 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/potential_E.dat 123413 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/press.dat 553337 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/state2.restart 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/temp.dat 123440 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/vdw_E.dat 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/Q.dat 6363 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/bond_E.dat 2666 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/cgTHF.lmp 20516 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/cgTHFrdf.tpr 24231 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/cgrdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/data.cgTHF 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/iter6 123409 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/log.cite 379935 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/log.txt 19296868 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/outfile.xtc 123348 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/potential_E.dat 123356 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/press.dat 553492 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/state2.restart 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/temp.dat 123348 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/vdw_E.dat 123349 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/iter6/vol.dat 67731 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/ 810771 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/#cg_pressures.xvg.1# 750797 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/#cg_volumes.xvg.1# 6602 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/THF_RDF.out 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/cg_THF.mdp 810792 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/cg_pressures.xvg 750801 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/cg_volumes.xvg 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/lammps_nb_THFTHF.table 24181 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/mappedaa.trr 12219587 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/md.log 12073 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/mdout.mdp 683 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/rdf.sh 8830 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/rerun.tpr 170368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/ 968523 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/250u.lmp 378222 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/NAME 440 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/PVcurve.bw.0.25.dat 6413 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/bond_E.dat 2648 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/cgTHF.lmp 24262 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/data.cgTHF 123364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/enthalpy.dat 123360 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/log.cite 379915 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/log.lammps 19293524 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/outfile.xtc 123400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/potential_E.dat 123368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/press.dat 553259 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/state2.restart 123340 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/temp.dat 123400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/vdw_E.dat 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/91/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/Analysis/6/ 399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/Analysis/6/CG6distro.xvg 1214 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/Analysis/6/PVcurve.bw.0.1.dat 481 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/Analysis/6/PVcurve.bw.0.25.dat 764936 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/aa_pressures.xvg 750772 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/aa_volumes.xvg 2665 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/cgTHF.lmp 3472 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/clusterout.out 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/config.ini0 37342 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/CG_Q.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/CG_g_cnt.dat 378833 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/I0250.o39922970 50 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/cgTHF.lmp 780803 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/cg_pressures.xvg 750769 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/data.cgTHF 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/g_cnt.dat 378056 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/iter0 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/log.cite 379939 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/log.txt 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/potential_E.dat 123363 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/press.dat 553407 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/state2.restart 123371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/temp.dat 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/vdw_E.dat 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/data.cgTHF 123335 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/g_cnt.dat 378059 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/iter1 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/log.cite 379942 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/log.txt 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/potential_E.dat 123323 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/press.dat 553385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/state2.restart 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/temp.dat 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/vdw_E.dat 123298 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/data.cgTHF 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/iter2 123379 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/log.cite 379940 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/log.txt 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/potential_E.dat 123424 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/press.dat 553510 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/state2.restart 123402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/temp.dat 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/vdw_E.dat 123323 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/data.cgTHF 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/iter3 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/log.cite 379939 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/log.txt 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/potential_E.dat 123412 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/press.dat 553499 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/state2.restart 123355 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/temp.dat 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/vdw_E.dat 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/data.cgTHF 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/iter4 123397 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/log.cite 379939 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/log.txt 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/potential_E.dat 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/press.dat 553364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/state2.restart 123394 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/temp.dat 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/vdw_E.dat 123380 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/data.cgTHF 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/iter5 123336 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/log.cite 379939 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/log.txt 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/potential_E.dat 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/press.dat 553332 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/state2.restart 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/temp.dat 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/vdw_E.dat 123396 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/Q.dat 3473 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/bond_E.dat 2670 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/cgTHF.lmp 20516 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/cgTHFrdf.tpr 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/data.cgTHF 123358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/g_cnt.dat 378052 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/iter6 123419 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/log.cite 379934 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/log.txt 19304136 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/outfile.xtc 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/potential_E.dat 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/press.dat 553372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/state2.restart 123356 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/temp.dat 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/vdw_E.dat 123358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/iter6/vol.dat 67731 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/ 810803 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/#cg_pressures.xvg.1# 750793 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/#cg_volumes.xvg.1# 12219591 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/#md.log.1# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/#rerun.edr.1# 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/#traj.trr.1# 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/cg_THF.mdp 476 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/cg_THF.top 780803 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/cg_pressures.xvg 750769 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/cg_volumes.xvg 37400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/data.cgTHF 11549 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/index.ndx 67691 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/lammps_nb_THFTHF.table 53040 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/mappedaa.gro --------- ------- 5368043190 813 files ===================================================== Content of ZIP archive thf-data-014.zip ===================================================== Archive: thf-data-014.zip Length Date Time Name --------- ---------- ----- ---- 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/mappedaa.trr 12219595 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/md.log 12046 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/mdout.mdp 8092 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/rerun.tpr 170434 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/ 968523 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/250u.lmp 378217 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/NAME 508 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/PVcurve.bw.0.25.dat 6384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/cgTHF.lmp 24553 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/data.cgTHF 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/enthalpy.dat 123356 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/log.cite 379914 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/log.lammps 19306916 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/outfile.xtc 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/potential_E.dat 123356 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/press.dat 553377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/state2.restart 123378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/temp.dat 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/vdw_E.dat 123364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/95/ucurve/vol.dat 67731 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/lammps_nb_THFTHF.table 170434 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/250/table_THF_THF.xvg 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/Analysis/6/ 420 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/Analysis/6/CG6distro.xvg 1903 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/Analysis/6/PVcurve.bw.0.1.dat 848 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/Analysis/6/PVcurve.bw.0.25.dat 765548 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/aa_pressures.xvg 750828 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/aa_volumes.xvg 2651 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/config.ini0 37364 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/ 52 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/cgTHF.lmp 2698 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/cgTHF.lmp2 476 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/cg_THF.top 2236 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/cg_THF_NPT.mdp 780789 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/cg_pressures.xvg 750802 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/data.cgTHF 37386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/data.cgTHF3 37341 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/data.cgTHF4 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/g_cnt.dat 378057 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/iter0 4158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/iter0.o39951111 4158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/iter0.o39951255 378669 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/iter0.o39952151 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/log.cite 379928 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/log.txt 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/potential_E.dat 125926 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/press.dat 553292 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/state2.restart 123395 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/temp.dat 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/vdw_E.dat 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/data.cgTHF 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/g_cnt.dat 378056 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/iter1 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/log.cite 379927 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/log.txt 123416 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/potential_E.dat 125988 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/press.dat 553427 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/state2.restart 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/temp.dat 123416 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/vdw_E.dat 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/data.cgTHF 123340 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/g_cnt.dat 378961 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/iter2 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/log.cite 379932 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/log.txt 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/potential_E.dat 125874 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/press.dat 553348 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/state2.restart 123363 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/temp.dat 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/vdw_E.dat 123331 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/data.cgTHF 123421 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/iter3 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/log.cite 379928 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/log.txt 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/potential_E.dat 125988 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/press.dat 553455 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/state2.restart 123398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/temp.dat 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/vdw_E.dat 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/data.cgTHF 123411 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/iter4 123348 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/log.cite 379928 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/log.txt 123405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/potential_E.dat 125827 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/press.dat 553453 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/state2.restart 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/temp.dat 123405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/vdw_E.dat 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/data.cgTHF 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/iter5 123368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/log.cite 379929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/log.txt 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/potential_E.dat 126103 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/press.dat 553336 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/state2.restart 123402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/temp.dat 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/vdw_E.dat 123344 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/Q.dat 6429 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/bond_E.dat 2658 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/cgTHF.lmp 20516 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/cgTHFrdf.tpr 25270 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/cgrdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/data.cgTHF 123407 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/g_cnt.dat 378959 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/iter6 123309 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/log.cite 379929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/log.txt 19358624 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/outfile.xtc 123421 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/potential_E.dat 125966 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/press.dat 553454 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/state2.restart 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/temp.dat 123421 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/vdw_E.dat 123408 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/iter6/vol.dat 67734 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/pgo.sh 538 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/ 810804 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/#cg_pressures.xvg.1# 750785 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/#cg_volumes.xvg.1# 750800 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/#cg_volumes.xvg.2# 12216487 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/#md.log.1# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/#rerun.edr.1# 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/#traj.trr.1# 7835 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/THFrerun285.o39950618 476 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/cg_THF.top 2236 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/cg_THF_NPT.mdp 780789 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/cg_pressures.xvg 750802 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/cg_volumes.xvg 11705 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/index.ndx 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/lammps_nb_THFTHF.table 53040 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/mappedaa.gro 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/mappedaa.trr 12216491 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/md.log 12037 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/mdout.mdp 8112 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/rerun.tpr 53040 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/starting_NVT_CG.gro 170427 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/table_THF_THF.xvg --------- ------- 5119873905 294 files ===================================================== Content of ZIP archive thf-data-015.zip ===================================================== Archive: thf-data-015.zip Length Date Time Name --------- ---------- ----- ---- 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/traj.trr 53069 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/rerun/whole_mappedaa.gro 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/ 966275 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/285u.lmp 378223 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/NAME 942 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/PVcurve.bw.0.25.dat 6370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/bond_E.dat 2640 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/cgTHF.lmp 25251 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/coul_E.dat 37364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/data.cgTHF 123339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/enthalpy.dat 123321 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/log.cite 379908 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/log.lammps 19357364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/outfile.xtc 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/potential_E.dat 125951 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/press.dat 553447 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/press_tens.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/state2.restart 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/temp.dat 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/vdw_E.dat 123434 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/104/ucurve/vol.dat 1380730 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/285_u_curve.txt 966275 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/285u.lmp 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/Analysis/6/ 399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/Analysis/6/CG6distro.xvg 959 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/Analysis/6/PVcurve.bw.0.1.dat 417 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/Analysis/6/PVcurve.bw.0.25.dat 780766 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/aa_pressures.xvg 750765 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/aa_volumes.xvg 2660 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/config.ini0 37343 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/ 51 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/bond_E.dat 2667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/cgTHF.lmp 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/cg_THF.mdp 780803 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/cg_pressures.xvg 750784 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/data.cgTHF 123352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/g_cnt.dat 378058 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/iter0 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/log.cite 379937 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/log.txt 123400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/potential_E.dat 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/press.dat 553288 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/state2.restart 123313 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/temp.dat 123400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/vdw_E.dat 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/bond_E.dat 2667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/data.cgTHF 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/iter1 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/log.cite 379935 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/log.txt 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/potential_E.dat 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/press.dat 553451 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/state2.restart 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/temp.dat 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/vdw_E.dat 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/bond_E.dat 2667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/data.cgTHF 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/iter2 123334 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/log.cite 379934 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/log.txt 123331 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/potential_E.dat 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/press.dat 553499 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/state2.restart 123406 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/temp.dat 123331 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/vdw_E.dat 123433 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/bond_E.dat 2667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/data.cgTHF 123370 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/iter3 123396 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/log.cite 379936 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/log.txt 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/potential_E.dat 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/press.dat 553464 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/state2.restart 123339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/temp.dat 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/vdw_E.dat 123337 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/bond_E.dat 2667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/data.cgTHF 123402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/iter4 123345 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/log.cite 379937 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/log.txt 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/potential_E.dat 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/press.dat 553343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/state2.restart 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/temp.dat 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/vdw_E.dat 123374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/bond_E.dat 2667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/data.cgTHF 123398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/iter5 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/log.cite 379934 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/log.txt 123322 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/potential_E.dat 123346 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/press.dat 553128 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/state2.restart 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/temp.dat 123322 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/vdw_E.dat 123422 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/Q.dat 6376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/bond_E.dat 2666 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/cgTHF.lmp 20516 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/cgTHFrdf.tpr 24239 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/cgrdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/data.cgTHF 123364 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/iter6 123413 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/log.cite 379933 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/log.txt 19290444 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/outfile.xtc 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/potential_E.dat 123415 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/press.dat 553288 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/state2.restart 123404 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/temp.dat 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/vdw_E.dat 123394 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/iter6/vol.dat 67734 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/ 810796 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/#cg_pressures.xvg.1# 750784 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/#cg_volumes.xvg.1# 6593 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/THF_RDF.out 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/cg_THF.mdp 780803 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/cg_pressures.xvg 750784 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/cg_volumes.xvg 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/lammps_nb_THFTHF.table 24189 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/mappedaa.trr 12219653 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/md.log 12073 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/mdout.mdp 683 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/rdf.sh 8084 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/rerun.tpr 170427 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/ 24254 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/#cgrdf.xvg.1# 966275 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/285u.lmp 378225 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/NAME 395 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/PVcurve.bw.0.25.dat 6685 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/bond_E.dat 2648 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/cgTHF.lmp 24245 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/data.cgTHF 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/enthalpy.dat 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/log.cite 379918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/log.lammps 19286360 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/outfile.xtc 123371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/potential_E.dat 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/press.dat 553362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/state2.restart 123368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/temp.dat 123371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/vdw_E.dat 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/91/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/Analysis/6/ 399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/Analysis/6/CG6distro.xvg 1145 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/Analysis/6/PVcurve.bw.0.1.dat 494 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/Analysis/6/PVcurve.bw.0.25.dat 777896 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/aa_pressures.xvg 750779 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/aa_volumes.xvg 2664 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/config.ini0 37342 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/ 810791 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/#cg_pressures.xvg.1# 750800 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/#cg_volumes.xvg.1# 50 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/bond_E.dat 2670 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/cgTHF.lmp 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/cg_THF.mdp 780783 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/cg_pressures.xvg 750809 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/data.cgTHF 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/g_cnt.dat 378055 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/iter0 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/log.cite 379937 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/log.txt 1447034880 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/mappedaa.trr 19303240 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/outfile.xtc 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/potential_E.dat 123329 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/press.dat 553533 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/state2.restart 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/temp.dat 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/vdw_E.dat 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/data.cgTHF 123360 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/g_cnt.dat 378056 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/iter1 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/log.cite 379939 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/log.txt 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/potential_E.dat 123360 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/press.dat 553491 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/state2.restart 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/temp.dat 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/vdw_E.dat 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/data.cgTHF 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/iter2 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/log.cite 379940 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/log.txt 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/potential_E.dat 123309 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/press.dat 553407 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/state2.restart 123394 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/temp.dat 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/vdw_E.dat 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/data.cgTHF 123363 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/g_cnt.dat 378959 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/iter3 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/log.cite 379942 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/log.txt 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/potential_E.dat 123342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/press.dat 553447 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/state2.restart 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/temp.dat 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/vdw_E.dat 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/data.cgTHF 123395 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/g_cnt.dat 378959 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/iter4 123335 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/log.cite 379942 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/log.txt 123395 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/potential_E.dat 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/press.dat 553182 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/state2.restart 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/temp.dat 123395 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/vdw_E.dat 123352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/data.cgTHF 123373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/g_cnt.dat 378959 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/iter5 123379 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/log.cite 379942 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/log.txt 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/potential_E.dat 123400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/press.dat 553359 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/state2.restart 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/temp.dat 123343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/vdw_E.dat 123359 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/Q.dat 6441 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/bond_E.dat 2670 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/cgTHF.lmp 20516 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/cgTHFrdf.tpr 24566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/cgrdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/data.cgTHF 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/iter6 123382 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/log.cite 379936 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/log.txt 19297752 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/outfile.xtc 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/potential_E.dat 123407 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/press.dat 553566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/state2.restart 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/temp.dat 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/vdw_E.dat 123335 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/iter6/vol.dat 67734 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/ 810791 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/#cg_pressures.xvg.1# 750800 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/#cg_volumes.xvg.1# 12219597 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/#md.log.1# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/#rerun.edr.1# --------- ------- 4971142552 535 files ===================================================== Content of ZIP archive thf-data-016.zip ===================================================== Archive: thf-data-016.zip Length Date Time Name --------- ---------- ----- ---- 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/#traj.trr.1# 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/cg_THF.mdp 780783 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/cg_pressures.xvg 750809 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/cg_volumes.xvg 67703 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/lammps_nb_THFTHF.table 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/mappedaa.trr 12219662 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/md.log 12073 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/mdout.mdp 8201 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/rerun.tpr 170427 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/ 24570 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/#cgrdf.xvg.1# 966275 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/285u.lmp 378222 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/NAME 443 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/PVcurve.bw.0.25.dat 6490 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/cgTHF.lmp 24582 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/data.cgTHF 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/enthalpy.dat 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/log.cite 379919 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/log.lammps 19304888 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/outfile.xtc 123359 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/potential_E.dat 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/press.dat 553305 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/state2.restart 123410 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/temp.dat 123359 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/vdw_E.dat 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/95/ucurve/vol.dat 67734 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/lammps_nb_THFTHF.table 170427 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/285/table_THF_THF.xvg 0 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/Analysis/6/ 420 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/Analysis/6/CG6distro.xvg 2029 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/Analysis/6/PVcurve.bw.0.1.dat 783 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/Analysis/6/PVcurve.bw.0.25.dat 761294 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/aa_pressures.xvg 750774 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/aa_volumes.xvg 2665 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/config.ini0 37352 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/Q.dat 6394 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/bond_E.dat 2671 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/cgTHF.lmp 20516 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/cgTHFrdf.tpr 25282 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/cgrdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/data.cgTHF 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/iter6 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/log.cite 379938 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/log.txt 19367836 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/outfile.xtc 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/potential_E.dat 123346 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/press.dat 553445 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/state2.restart 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/temp.dat 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/vdw_E.dat 123378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/getrdf/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/ 50 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/bond_E.dat 2672 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/cgTHF.lmp 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/cg_THF.mdp 780804 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/cg_pressures.xvg 750794 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/data.cgTHF 123356 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/g_cnt.dat 378056 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/iter0 123336 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/log.cite 379940 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/log.txt 123414 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/potential_E.dat 123423 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/press.dat 553381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/state2.restart 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/temp.dat 123414 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/vdw_E.dat 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/bond_E.dat 2672 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/data.cgTHF 123356 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/g_cnt.dat 378055 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/iter1 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/log.cite 379939 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/log.txt 123407 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/potential_E.dat 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/press.dat 553470 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/state2.restart 123419 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/temp.dat 123407 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/vdw_E.dat 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/bond_E.dat 2672 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/data.cgTHF 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/iter2 123336 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/log.cite 379941 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/log.txt 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/potential_E.dat 123423 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/press.dat 553326 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/state2.restart 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/temp.dat 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/vdw_E.dat 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/bond_E.dat 2672 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/data.cgTHF 123378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/iter3 123324 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/log.cite 379941 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/log.txt 123460 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/potential_E.dat 123395 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/press.dat 553161 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/state2.restart 123349 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/temp.dat 123460 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/vdw_E.dat 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/bond_E.dat 2672 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/data.cgTHF 123424 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/iter4 123405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/log.cite 379941 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/log.txt 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/potential_E.dat 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/press.dat 553564 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/state2.restart 123337 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/temp.dat 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/vdw_E.dat 123417 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/bond_E.dat 2672 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/data.cgTHF 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/iter5 123400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/log.cite 379939 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/log.txt 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/potential_E.dat 123404 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/press.dat 553300 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/state2.restart 123358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/temp.dat 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/vdw_E.dat 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/bond_E.dat 2672 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/data.cgTHF 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/iter6 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/log.cite 379938 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/log.txt 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/potential_E.dat 123346 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/press.dat 553445 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/state2.restart 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/temp.dat 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/vdw_E.dat 123378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/iter6/vol.dat 67729 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/pgo.sh 538 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/ 810805 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/#cg_pressures.xvg.1# 750771 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/#cg_volumes.xvg.1# 12219604 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/#md.log.1# 12219609 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/#md.log.2# 12219609 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/#md.log.3# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/#rerun.edr.1# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/#rerun.edr.2# 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/#traj.trr.1# 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/#traj.trr.2# 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/cg_THF.mdp 780804 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/cg_pressures.xvg 750794 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/cg_volumes.xvg 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/lammps_nb_THFTHF.table --------- ------- 5137079252 312 files ===================================================== Content of ZIP archive thf-data-017.zip ===================================================== Archive: thf-data-017.zip Length Date Time Name --------- ---------- ----- ---- 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/mappedaa.trr 12219606 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/md.log 12074 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/mdout.mdp 8013 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/rerun.tpr 170418 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/ 964597 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/320u.lmp 378223 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/NAME 738 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/PVcurve.bw.0.25.dat 6435 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/cgTHF.lmp 25265 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/cgrdf.xvg 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/checklog 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/coul_E.dat 37352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/data.cgTHF 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/enthalpy.dat 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/log.cite 379920 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/log.lammps 19358572 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/outfile.xtc 123424 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/potential_E.dat 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/press.dat 553256 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/press_tens.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/state2.restart 123319 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/temp.dat 123424 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/vdw_E.dat 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/104/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/Analysis/6/ 420 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/Analysis/6/CG6distro.xvg 2591 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/Analysis/6/PVcurve.bw.0.1.dat 1044 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/Analysis/6/PVcurve.bw.0.25.dat 765519 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/aa_pressures.xvg 750792 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/aa_volumes.xvg 2651 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/config.ini0 37371 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/CG_Q.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/CG_g_cnt.dat 378833 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/I0_320.o39923906 50 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/cgTHF.lmp 2236 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/cg_NPT.mdp 476 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/cg_THF.top 780805 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/cg_pressures.xvg 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/cg_time.xvg 750800 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/data.cgTHF 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/g_cnt.dat 378055 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/iter0 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/log.cite 379926 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/log.txt 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/potential_E.dat 125953 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/press.dat 553572 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/state2.restart 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/temp.dat 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/vdw_E.dat 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/data.cgTHF 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/g_cnt.dat 378055 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/iter1 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/log.cite 379926 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/log.txt 123371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/potential_E.dat 125945 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/press.dat 553428 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/state2.restart 123327 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/temp.dat 123371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/vdw_E.dat 123352 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/data.cgTHF 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/iter2 123356 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/log.cite 379928 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/log.txt 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/potential_E.dat 125938 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/press.dat 553378 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/state2.restart 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/temp.dat 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/vdw_E.dat 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/data.cgTHF 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/iter3 123368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/log.cite 379929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/log.txt 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/potential_E.dat 125941 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/press.dat 553195 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/state2.restart 123363 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/temp.dat 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/vdw_E.dat 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/data.cgTHF 123363 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/g_cnt.dat 378960 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/iter4 123426 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/log.cite 379931 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/log.txt 123402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/potential_E.dat 125958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/press.dat 553432 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/state2.restart 123363 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/temp.dat 123402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/vdw_E.dat 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/bond_E.dat 2659 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/data.cgTHF 123341 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/g_cnt.dat 378952 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/iter5 123419 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/log.cite 379923 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/log.txt 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/potential_E.dat 125966 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/press.dat 553202 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/state2.restart 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/temp.dat 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/vdw_E.dat 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/Q.dat 6374 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/bond_E.dat 2658 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/cgTHF.lmp 20516 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/cgTHFrdf.tpr 25684 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/cgrdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/data.cgTHF 123355 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/g_cnt.dat 378951 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/iter6 123349 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/log.cite 379921 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/log.txt 19419576 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/outfile.xtc 123337 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/potential_E.dat 125919 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/press.dat 553222 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/state2.restart 123396 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/temp.dat 123337 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/vdw_E.dat 123359 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/iter6/vol.dat 67729 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/pgo.sh 538 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/ 810791 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/#cg_pressures.xvg.1# 750780 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/#cg_volumes.xvg.1# 8986545 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/#md.log.1# 12216508 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/#md.log.2# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/#rerun.edr.1# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/#rerun.edr.2# 833067768 01-26-2024 19:58 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/#traj.trr.1# 833067768 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/#traj.trr.2# 2236 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/cg_NPT.mdp 476 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/cg_THF.top 780805 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/cg_pressures.xvg 750800 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/cg_volumes.xvg 37432 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/data.cgTHF 11549 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/index.ndx 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/lammps_nb_THFTHF.table 53040 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/mappedaa.gro --------- ------- 4285035752 284 files ===================================================== Content of ZIP archive thf-data-018.zip ===================================================== Archive: thf-data-018.zip Length Date Time Name --------- ---------- ----- ---- 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/mappedaa.trr 12216508 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/md.log 12033 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/mdout.mdp 8068 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/rerun.tpr 170418 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/ 964597 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/320u.lmp 3577010 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/NAME 1066 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/PVcurve.bw.0.25.dat 5642 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/THF_RDF.out 4572 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/angle_E.dat 4572 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/bond_E.dat 2640 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/cgTHF.lmp 25667 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/cgrdf.xvg 4572 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/coul_E.dat 37371 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/data.cgTHF 12246 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/enthalpy.dat 12254 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/log.cite 42518 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/log.lammps 2006764 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/outfile.xtc 12266 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/potential_E.dat 12536 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/press.dat 56626 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/press_tens.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/state2.restart 12250 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/temp.dat 12266 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/vdw_E.dat 12262 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/109/ucurve/vol.dat 1379052 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/320_u_curve.txt 964597 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/320u.lmp 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/Analysis/6/ 399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/Analysis/6/CG6distro.xvg 1074 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/Analysis/6/PVcurve.bw.0.1.dat 400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/Analysis/6/PVcurve.bw.0.25.dat 780793 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/aa_pressures.xvg 750764 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/aa_volumes.xvg 2658 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/config.ini0 37343 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/ 51 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/bond_E.dat 2665 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/cgTHF.lmp 2260 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/cg_THF.mdp 810804 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/cg_pressures.xvg 750797 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/data.cgTHF 123366 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/g_cnt.dat 378057 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/iter0 123380 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/log.cite 379934 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/log.txt 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/potential_E.dat 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/press.dat 553283 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/state2.restart 123359 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/temp.dat 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/vdw_E.dat 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/bond_E.dat 2665 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/data.cgTHF 123381 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/iter1 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/log.cite 379934 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/log.txt 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/potential_E.dat 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/press.dat 553281 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/state2.restart 123358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/temp.dat 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/vdw_E.dat 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/bond_E.dat 2665 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/data.cgTHF 123339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/iter2 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/log.cite 379931 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/log.txt 123339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/potential_E.dat 123418 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/press.dat 553365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/state2.restart 123331 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/temp.dat 123339 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/vdw_E.dat 123355 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/bond_E.dat 2665 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/data.cgTHF 123401 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/iter3 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/log.cite 379931 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/log.txt 123402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/potential_E.dat 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/press.dat 553264 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/state2.restart 123346 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/temp.dat 123402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/vdw_E.dat 123377 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/bond_E.dat 2665 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/data.cgTHF 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/g_cnt.dat 378956 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/iter4 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/log.cite 379933 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/log.txt 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/potential_E.dat 123413 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/press.dat 553270 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/state2.restart 123355 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/temp.dat 123386 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/vdw_E.dat 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/bond_E.dat 2665 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/data.cgTHF 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/g_cnt.dat 378954 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/iter5 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/log.cite 379931 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/log.txt 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/potential_E.dat 123394 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/press.dat 553279 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/state2.restart 123412 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/temp.dat 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/vdw_E.dat 123368 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/Q.dat 6312 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/THF_RDF.out 23429 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/angle_E.dat 23429 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/bond_E.dat 2664 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/cgTHF.lmp 20516 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/cgTHFrdf.tpr 24232 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/cgrdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/config.ini 23429 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/data.cgTHF 59914 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/g_cnt.dat 186579 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/iter6 59892 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/log.cite 180224 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/log.txt 9453568 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/outfile.xtc 59910 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/potential_E.dat 59939 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/press.dat 270559 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/psi.dat 539 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/state2.restart 59884 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/temp.dat 59910 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/vdw_E.dat 59909 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/iter6/vol.dat 67729 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/pgo.sh 538 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/ 810801 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#cg_pressures.xvg.1# 810800 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#cg_pressures.xvg.2# 750784 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#cg_volumes.xvg.1# 750789 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#cg_volumes.xvg.2# 24184 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#mapped_aa_rdf.xvg.1# 6645 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#md.log.1# 12219600 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#md.log.2# 12219666 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#md.log.3# 11012 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#mdout.mdp.1# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#rerun.edr.1# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#rerun.edr.2# 20516 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#rerun.tpr.1# 833067768 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#traj.trr.1# 833067768 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/#traj.trr.2# 6600 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/THF_RDF.out 2260 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/cg_THF.mdp 810804 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/cg_pressures.xvg 750797 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/cg_volumes.xvg 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/lammps_nb_THFTHF.table 24175 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/mapped_aa_rdf.xvg --------- ------- 4264401339 283 files ===================================================== Content of ZIP archive thf-data-019.zip ===================================================== Archive: thf-data-019.zip Length Date Time Name --------- ---------- ----- ---- 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/mappedaa.trr 12219602 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/md.log 12072 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/mdout.mdp 683 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/rdf.sh 8908 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/rerun.tpr 170418 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/ 1379052 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/320_u_curve.txt 964597 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/320u.lmp 378224 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/NAME 394 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/PVcurve.bw.0.25.dat 6452 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/bond_E.dat 2646 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/cgTHF.lmp 24247 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/coul_E.dat 37343 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/data.cgTHF 123344 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/enthalpy.dat 123367 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/log.cite 379915 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/log.lammps 19289828 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/outfile.xtc 123400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/potential_E.dat 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/press.dat 553342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/press_tens.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/state2.restart 123365 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/temp.dat 123400 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/vdw_E.dat 123404 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/91/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/Analysis/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/Analysis/6/ 399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/Analysis/6/CG6distro.xvg 1335 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/Analysis/6/PVcurve.bw.0.1.dat 483 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/Analysis/6/PVcurve.bw.0.25.dat 780584 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/aa_pressures.xvg 750784 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/aa_volumes.xvg 2664 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/cgTHF.lmp 591 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/config.ini 581 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/config.ini0 37342 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/Q.dat 6399 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/bond_E.dat 2669 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/cgTHF.lmp 20516 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/cgTHFrdf.tpr 24584 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/cgrdf.xvg 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/data.cgTHF 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/g_cnt.dat 378951 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/iter6 123402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/log.cite 379932 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/log.txt 19299872 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/outfile.xtc 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/potential_E.dat 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/press.dat 553426 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/state2.restart 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/temp.dat 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/vdw_E.dat 123334 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/get_rdf/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/ 52 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/bond_E.dat 2670 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/cgTHF.lmp 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/cg_THF.mdp 781879 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/cg_pressures.xvg 750797 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/data.cgTHF 123385 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/g_cnt.dat 378056 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/iter0 123398 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/log.cite 379938 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/log.txt 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/potential_E.dat 123394 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/press.dat 553418 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/state2.restart 123362 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/temp.dat 123351 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/vdw_E.dat 123347 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/bond_E.dat 2670 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/data.cgTHF 123391 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/g_cnt.dat 378056 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/iter1 123390 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/log.cite 379938 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/log.txt 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/potential_E.dat 123346 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/press.dat 553212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/state2.restart 123350 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/temp.dat 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/vdw_E.dat 123361 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/bond_E.dat 2670 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/data.cgTHF 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/g_cnt.dat 378957 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/iter2 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/log.cite 379939 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/log.txt 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/potential_E.dat 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/press.dat 553373 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/state2.restart 123358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/temp.dat 123369 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/vdw_E.dat 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter2/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/bond_E.dat 2670 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/data.cgTHF 123315 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/iter3 123403 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/log.cite 379937 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/log.txt 123338 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/potential_E.dat 123354 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/press.dat 553333 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/state2.restart 123408 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/temp.dat 123338 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/vdw_E.dat 123419 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter3/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/bond_E.dat 2670 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/data.cgTHF 123341 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/g_cnt.dat 378958 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/iter4 123358 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/log.cite 379940 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/log.txt 123409 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/potential_E.dat 123425 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/press.dat 553291 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/state2.restart 123379 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/temp.dat 123409 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/vdw_E.dat 123357 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter4/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/bond_E.dat 2670 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/data.cgTHF 123384 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/iter5 123344 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/log.cite 379937 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/log.txt 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/potential_E.dat 123389 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/press.dat 553329 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/state2.restart 123375 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/temp.dat 123387 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/vdw_E.dat 123326 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter5/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/ 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/Q.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/bond_E.dat 2670 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/config.ini 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/data.cgTHF 123353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/g_cnt.dat 378955 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/iter6 123402 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/log.cite 379937 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/log.txt 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/potential_E.dat 123383 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/press.dat 553426 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/press_tens.dat 76 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/psi.dat 538 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/psub.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/state2.restart 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/temp.dat 123388 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/vdw_E.dat 123334 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/iter6/vol.dat 67729 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/lammps_nb_THFTHF.table 1088 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/pgo.sh 537 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/ 26990 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#cg_pressures.xvg.1# 810793 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#cg_pressures.xvg.2# 25019 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#cg_volumes.xvg.1# 750809 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#cg_volumes.xvg.2# 12219589 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#md.log.1# 408409 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#md.log.2# 12219594 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#md.log.3# 12219594 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#md.log.4# 218396 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#rerun.edr.1# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#rerun.edr.2# 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#rerun.edr.3# 833067768 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#traj.trr.1# 26990496 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#traj.trr.2# 833067768 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#traj.trr.3# 833067768 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/#traj.trr.4# 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/cg_THF.mdp 781879 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/cg_pressures.xvg 750797 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/cg_volumes.xvg 67704 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/lammps_nb_THFTHF.table --------- ------- 5164198497 311 files ===================================================== Content of ZIP archive thf-data-020.zip ===================================================== Archive: thf-data-020.zip Length Date Time Name --------- ---------- ----- ---- 1663855460 01-26-2024 19:57 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/mappedaa.trr 12219594 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/md.log 12073 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/mdout.mdp 8102 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/rerun 6721116 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/rerun.tpr 170418 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/rerun/traj.trr 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/ 964597 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/320u.lmp 378221 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/NAME 534 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/PVcurve.bw.0.25.dat 5537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/cgTHF.lmp 24575 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/coul_E.dat 37342 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/data.cgTHF 123372 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/enthalpy.dat 123376 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/log.cite 379918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/log.lammps 19310040 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/outfile.xtc 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/potential_E.dat 123379 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/press.dat 553335 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/state2.restart 123332 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/temp.dat 123393 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/vdw_E.dat 123412 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/95/ucurve/vol.dat 67729 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/lammps_nb_THFTHF.table 170418 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/320/table_THF_THF.xvg 3465 01-26-2024 19:39 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/clusterout.out 0 01-26-2024 19:38 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/250/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/250/99build/ 0 01-26-2024 19:40 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/ 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/ 1140 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/3go.sh 2031625 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/aa_pressures.xvg 2000787 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/aa_volumes.xvg 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/cgTHF.lmp 591 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/config.ini0 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/data.cgTHF 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/ 883951 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/Fv.dat 6004051 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/NAME 105 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/Q.dat 868930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/angle_E.dat 868930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/cgTHF.lmp 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/cg_THF.mdp 2080826 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/cg_pressures.xvg 2000792 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/config.ini0 868930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/data.cgTHF 2060165 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/enthalpy.dat 27 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/g_cnt.dat 2059971 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/log.cite 6005015 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/log.lammps 79 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/log.txt 2060030 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/potential_E.dat 2059944 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/press.dat 8939789 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/press_tens.dat 88 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/psi.dat 536 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/psub.sh 105918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/state1.restart 105918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/state2.restart 2060029 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/temp.dat 2060030 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/vdw_E.dat 2060162 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter0/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/ 27 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/CG_Q.dat 27 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/CG_g_cnt.dat 883970 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/Fv.dat 6004051 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/NAME 93 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/Q.dat 868930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/angle_E.dat 868930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/config.ini 868930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/data.cgTHF 2059982 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/enthalpy.dat 27 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/g_cnt.dat 2060092 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/log.cite 6005015 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/log.txt 2059858 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/potential_E.dat 2059851 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/press.dat 8939180 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/press_tens.dat 89 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/psi.dat 536 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/psub.sh 105918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/state1.restart 105918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/state2.restart 2059998 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/temp.dat 2059858 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/vdw_E.dat 2060277 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter1/vol.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/ 27 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/CG_Q.dat 27 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/CG_g_cnt.dat 884106 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/Fv.dat 6004051 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/NAME 93 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/Q.dat 868930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/angle_E.dat 868930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/bond_E.dat 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/config.ini 868930 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/coul_E.dat 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/data.cgTHF 2060178 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/enthalpy.dat 27 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/g_cnt.dat 2060093 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/log.cite 6005015 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/log.txt 2060056 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/potential_E.dat 2060110 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/press.dat 8940058 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/press_tens.dat 89 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/psi.dat 536 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/psub.sh 105918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/state1.restart 105918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/state2.restart 2060173 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/temp.dat 2060056 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/vdw_E.dat 2060023 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/iter2/vol.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/lammps_nb_THFTHF.table 536 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/ 1140 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/3go.sh 2031625 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/aa_pressures.xvg 2000787 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/aa_volumes.xvg 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/cgTHF.lmp 591 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/config.ini0 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/data.cgTHF 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/ 883951 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/Fv.dat 7507204 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/NAME 105 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/Q.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/angle_E.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/bond_E.dat 2652 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/cgTHF.lmp 2261 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/cg_THF.mdp 2080826 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/cg_pressures.xvg 2000792 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/cg_volumes.xvg 599 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/config.ini 581 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/config.ini0 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/coul_E.dat 37353 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/data.cgTHF 1283530 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/enthalpy.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/g_cnt.dat 1283416 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/kinetic_E.dat 67734 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/log.cite 3755016 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/log.lammps 79 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/log.txt 1283322 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/potential_E.dat 1283381 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/press.dat 5582818 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/press_tens.dat 88 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/psi.dat 536 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/psub.sh 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/state1.restart 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/state2.restart 1283341 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/temp.dat 1283322 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/vdw_E.dat 1283354 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter0/vol.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/ 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/CG_Q.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/CG_g_cnt.dat 883998 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/Fv.dat 3754053 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/NAME 93 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/Q.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/angle_E.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/bond_E.dat 2652 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/cgTHF.lmp 598 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/config.ini 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/coul_E.dat 37353 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/data.cgTHF 1283411 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/enthalpy.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/g_cnt.dat 1283325 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/kinetic_E.dat 67734 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/log.cite 3755017 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/log.lammps 158 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/log.txt 1283383 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/potential_E.dat 1283268 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/press.dat 5583451 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/press_tens.dat 89 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/psi.dat 537 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/psub.sh 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/state1.restart 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/state2.restart 1283493 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/temp.dat 1283383 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/vdw_E.dat 1283505 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter1/vol.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/ 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/CG_Q.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/CG_g_cnt.dat 883777 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/Fv.dat 3754050 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/NAME 93 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/Q.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/angle_E.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/bond_E.dat 2652 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/cgTHF.lmp 598 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/config.ini 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/coul_E.dat 37353 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/data.cgTHF 1283280 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/enthalpy.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/g_cnt.dat 1283438 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/kinetic_E.dat 67734 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/log.cite 3755014 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/log.lammps 158 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/log.txt 1283320 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/potential_E.dat 1283375 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/press.dat 5583006 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/press_tens.dat 89 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/psi.dat 537 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/psub.sh 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/state1.restart 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/state2.restart 1283303 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/temp.dat 1283320 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/vdw_E.dat 1283266 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter2/vol.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/ 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/CG_Q.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/CG_g_cnt.dat 883891 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/Fv.dat 3754047 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/NAME 93 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/Q.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/angle_E.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/bond_E.dat 2652 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/cgTHF.lmp 598 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/config.ini 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/coul_E.dat 37353 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/data.cgTHF 1283408 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/enthalpy.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/g_cnt.dat 1283328 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/kinetic_E.dat 67734 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/log.cite 3755011 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/log.lammps 158 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/log.txt 1283467 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/potential_E.dat 1283442 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/press.dat 5583317 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/press_tens.dat 89 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/psi.dat 537 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/psub.sh 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/state1.restart 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/state2.restart 1283224 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/temp.dat 1283467 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/vdw_E.dat 1283343 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter3/vol.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/ 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/CG_Q.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/CG_g_cnt.dat 883817 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/Fv.dat 3754051 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/NAME 93 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/Q.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/angle_E.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/bond_E.dat 2652 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/cgTHF.lmp 598 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/config.ini 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/coul_E.dat 37353 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/data.cgTHF 1283368 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/enthalpy.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/g_cnt.dat 1283229 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/kinetic_E.dat 67734 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/log.cite 3755015 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/log.lammps 158 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/log.txt 1283368 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/potential_E.dat 1283430 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/press.dat 5583085 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/press_tens.dat 89 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/psi.dat 537 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/psub.sh 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/state1.restart 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/state2.restart 1283293 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/temp.dat 1283368 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/vdw_E.dat 1283371 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter4/vol.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/ 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/CG_Q.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/CG_g_cnt.dat 883818 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/Fv.dat 3754049 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/NAME 93 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/Q.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/angle_E.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/bond_E.dat 2652 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/cgTHF.lmp 598 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/config.ini 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/coul_E.dat 37353 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/data.cgTHF 1283383 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/enthalpy.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/g_cnt.dat 1283396 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/kinetic_E.dat 67734 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/log.cite 3755013 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/log.lammps 158 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/log.txt 1283235 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/potential_E.dat 1283392 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/press.dat 5582924 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/press_tens.dat 89 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/psi.dat 537 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/psub.sh 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/state1.restart 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/state2.restart 1283466 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/temp.dat 1283235 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/vdw_E.dat 1283324 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/iter5/vol.dat 67734 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/lammps_nb_THFTHF.table 537 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/psub.sh 2804 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/race/write_Fv_psi3.py 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/ 2080820 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/#cg_pressures.xvg.1# 2000822 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/#cg_volumes.xvg.1# 2261 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/cg_THF.mdp 2080826 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/cg_pressures.xvg 2000792 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/cg_volumes.xvg 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/iter0/ 883951 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/iter0/Fv.dat 105 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/iter0/Q.dat 2652 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/iter0/cgTHF.lmp 2261 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/iter0/cg_THF.mdp 2080826 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/iter0/cg_pressures.xvg 2000792 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/iter0/cg_volumes.xvg 599 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/iter0/config.ini 581 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/iter0/config.ini0 37353 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/285/99build/rerun/iter0/data.cgTHF 27 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thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/data.cgTHF 2060041 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/enthalpy.dat 27 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/g_cnt.dat 2059917 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/kinetic_E.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/log.cite 6005013 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/log.lammps 158 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/log.txt 2060138 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/potential_E.dat 2060075 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/press.dat 8940091 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/press_tens.dat 87 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/psi.dat 536 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/psub.sh 105918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/state1.restart 105918 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/state2.restart 2060019 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/temp.dat 2060138 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/vdw_E.dat 2059988 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/iter3/vol.dat 67729 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/lammps_nb_THFTHF.table 536 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/psub.sh 0 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/ 1140 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/3go.sh 2061353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/aa_pressures.xvg 2000787 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/aa_volumes.xvg 2652 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/cgTHF.lmp 591 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/config.ini 581 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/config.ini0 37353 01-26-2024 19:59 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/data.cgTHF 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/ 884680 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/Fv.dat 6004046 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/NAME 105 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/Q.dat 868930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/angle_E.dat 868930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/bond_E.dat 2652 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/cgTHF.lmp 2261 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/cg_THF.mdp 2080827 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/cg_pressures.xvg 2000824 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/cg_volumes.xvg 599 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/config.ini 581 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/config.ini0 868930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/coul_E.dat 37353 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/data.cgTHF 2060143 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/enthalpy.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/g_cnt.dat 2060055 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/kinetic_E.dat 67729 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/log.cite 6005010 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/log.lammps 79 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/log.txt 2060065 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/potential_E.dat 2060166 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/press.dat 8939605 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/press_tens.dat 87 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/psi.dat 537 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/psub.sh 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/state1.restart 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/state2.restart 2059984 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/temp.dat 2060065 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/vdw_E.dat 2060160 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter0/vol.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/ 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/CG_Q.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/CG_g_cnt.dat 884646 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/Fv.dat 3754048 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/NAME 93 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/Q.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/angle_E.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/bond_E.dat 2652 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/cgTHF.lmp 598 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/config.ini 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/coul_E.dat 37353 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/data.cgTHF 1283287 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/enthalpy.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/g_cnt.dat 1283383 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/kinetic_E.dat 67729 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/log.cite 3755012 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/log.lammps 158 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/log.txt 1283246 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/potential_E.dat 1283471 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/press.dat 5582875 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/press_tens.dat 88 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/psi.dat 537 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/psub.sh 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/state1.restart 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/state2.restart 1283398 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/temp.dat 1283246 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/vdw_E.dat 1283319 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter1/vol.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/ 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/CG_Q.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/CG_g_cnt.dat 884542 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/Fv.dat 3754052 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/NAME 93 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/Q.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/angle_E.dat 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/bond_E.dat 2652 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/cgTHF.lmp 598 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/config.ini 538930 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/coul_E.dat 37353 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/data.cgTHF 1283206 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/enthalpy.dat 27 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/g_cnt.dat 1283305 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/kinetic_E.dat 67729 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/log.cite 3755016 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/log.lammps 158 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/log.txt 1283257 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/potential_E.dat 1283390 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/press.dat 5583075 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/press_tens.dat 88 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/psi.dat 537 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/psub.sh 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/state1.restart 105918 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/state2.restart 1283230 01-26-2024 20:08 thf-data/CG_SIMS_DD_Universal/try_with_ref_from_99/predictive_models/320/99build/race/iter2/temp.dat 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thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/Analysis/iter8/CG8distro.xvg 1045 11-09-2022 11:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/Analysis/iter8/PVcurve.bw.0.1.dat 764592 11-01-2022 13:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/aa_pressures.xvg 750025 11-01-2022 13:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/aa_volumes.txt 750808 11-01-2022 13:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/aa_volumes.xvg 277 11-01-2022 13:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/average.py 2651 11-01-2022 13:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/cgTHF.lmp 591 11-01-2022 13:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/config.ini 581 11-01-2022 13:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/config.ini0 37341 11-01-2022 13:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/data.cgTHF 540 11-01-2022 13:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/gocheck.sh 0 08-31-2023 12:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/ 49 11-01-2022 13:19 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/Q.dat 48929 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/angle_E.dat 48929 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/bond_E.dat 2668 11-01-2022 13:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/cgTHF.lmp 810826 11-01-2022 13:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/cg_pressures.xvg 750827 11-01-2022 13:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/cg_volumes.xvg 581 11-01-2022 13:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/config.ini0 48929 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/coul_E.dat 37341 11-01-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/data.cgTHF 123388 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/enthalpy.dat 18 11-01-2022 13:19 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/g_cnt.dat 123375 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/kinetic_E.dat 67689 11-01-2022 13:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/lammps_nb_THFTHF.table 405 11-01-2022 13:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/log.cite 379937 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/log.lammps 79 11-01-2022 13:19 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/log.txt 123354 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/potential_E.dat 125953 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/press.dat 553564 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/press_tens.dat 77 11-01-2022 13:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/psi.dat 663 11-01-2022 13:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/psub.sh 105566 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/state1.restart 105566 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/state2.restart 123430 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/temp.dat 123354 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/vdw_E.dat 123393 11-01-2022 14:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter0/vol.dat 0 08-31-2023 12:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/ 18 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/AA_g_cnt.dat 0 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/CG_Q.dat 18 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/CG_g_cnt.dat 42 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/Q.dat 48929 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/angle_E.dat 48929 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/bond_E.dat 2664 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/cgTHF.lmp 598 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/config.ini 48929 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/coul_E.dat 37341 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/data.cgTHF 123343 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/enthalpy.dat 18 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/g_cnt.dat 378750 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/iter1.o39747747 123370 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/kinetic_E.dat 67689 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/lammps_nb_THFTHF.table 405 11-01-2022 15:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/log.cite 379933 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/log.lammps 158 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/log.txt 123388 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/potential_E.dat 125965 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/press.dat 553502 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/press_tens.dat 77 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/psi.dat 664 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/psub.sh 105566 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/state1.restart 105566 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/state2.restart 123331 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/temp.dat 123388 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/vdw_E.dat 123386 11-01-2022 16:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter1/vol.dat 0 08-31-2023 12:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/ 18 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/AA_g_cnt.dat 0 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/CG_Q.dat 18 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/CG_g_cnt.dat 42 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/Q.dat 48929 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/angle_E.dat 48929 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/bond_E.dat 2664 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/cgTHF.lmp 598 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/config.ini 48929 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/coul_E.dat 37341 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/data.cgTHF 123351 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/enthalpy.dat 18 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/g_cnt.dat 378750 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/iter2.o39754628 123359 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/kinetic_E.dat 67689 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/lammps_nb_THFTHF.table 405 11-02-2022 08:19 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/log.cite 379933 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/log.lammps 158 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/log.txt 123360 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/potential_E.dat 125873 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/press.dat 553389 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/press_tens.dat 77 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/psi.dat 664 11-02-2022 08:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/psub.sh 105566 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/state1.restart 105566 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/state2.restart 123354 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/temp.dat 123360 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/vdw_E.dat 123359 11-02-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter2/vol.dat 0 08-31-2023 12:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/ 18 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/AA_g_cnt.dat 0 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/CG_Q.dat 18 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/CG_g_cnt.dat 42 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/Q.dat 48929 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/angle_E.dat 48929 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/bond_E.dat 2664 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/cgTHF.lmp 598 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/config.ini 48929 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/coul_E.dat 37341 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/data.cgTHF 123385 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/enthalpy.dat 18 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/g_cnt.dat 378751 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/iter3.o39755807 123393 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/kinetic_E.dat 67689 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/lammps_nb_THFTHF.table 405 11-02-2022 09:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/log.cite 379934 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/log.lammps 158 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/log.txt 123396 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/potential_E.dat 125928 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/press.dat 553621 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/press_tens.dat 77 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/psi.dat 664 11-02-2022 09:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/psub.sh 105566 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/state1.restart 105566 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/state2.restart 123448 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/temp.dat 123396 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/vdw_E.dat 123407 11-02-2022 10:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter3/vol.dat 0 08-31-2023 12:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/ 18 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/AA_g_cnt.dat 0 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/CG_Q.dat 18 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/CG_g_cnt.dat 42 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/Q.dat 48929 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/angle_E.dat 48929 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/bond_E.dat 2662 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/cgTHF.lmp 598 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/config.ini 48929 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/coul_E.dat 37341 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/data.cgTHF 123416 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/enthalpy.dat 18 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/g_cnt.dat 0 02-15-2024 13:33 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/iter4.o39756946 123382 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/kinetic_E.dat 67689 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/lammps_nb_THFTHF.table 405 11-02-2022 11:00 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/log.cite 379931 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/log.lammps 158 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/log.txt 123356 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/potential_E.dat 125863 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/press.dat 553421 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/press_tens.dat 77 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/psi.dat 664 11-02-2022 10:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/psub.sh 105566 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/state1.restart 105566 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/state2.restart 123398 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/temp.dat 123356 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/vdw_E.dat 123420 11-02-2022 12:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter4/vol.dat 0 08-31-2023 12:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/ 18 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/AA_g_cnt.dat 0 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/CG_Q.dat 18 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/CG_g_cnt.dat 42 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/Q.dat 48929 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/angle_E.dat 48929 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/bond_E.dat 2664 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/cgTHF.lmp 598 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/config.ini 48929 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/coul_E.dat 37341 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/data.cgTHF 123337 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/enthalpy.dat 18 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/g_cnt.dat 0 02-15-2024 13:33 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/iter5.o39758318 123334 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/kinetic_E.dat 67689 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/lammps_nb_THFTHF.table 405 11-02-2022 12:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/log.cite 379931 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/log.lammps 158 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/log.txt 123388 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/potential_E.dat 125901 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/press.dat 553192 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/press_tens.dat 77 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/psi.dat 664 11-02-2022 12:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/psub.sh 105566 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/state1.restart 105566 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/state2.restart 123354 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/temp.dat 123388 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/vdw_E.dat 123312 11-02-2022 13:36 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter5/vol.dat 0 09-01-2023 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/ 18 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/AA_g_cnt.dat 0 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/CG_Q.dat 18 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/CG_g_cnt.dat 42 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/Q.dat 48929 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/angle_E.dat 48929 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/bond_E.dat 2663 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/cgTHF.lmp 598 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/config.ini 48929 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/coul_E.dat 37341 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/data.cgTHF 123394 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/enthalpy.dat 18 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/g_cnt.dat 333673 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/iter6.o39759138 123396 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/kinetic_E.dat 67689 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/lammps_nb_THFTHF.table 405 11-02-2022 14:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/log.cite 379929 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/log.lammps 158 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/log.txt 123398 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/potential_E.dat 125856 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/press.dat 553473 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/press_tens.dat 77 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/psi.dat 664 11-02-2022 14:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/psub.sh 105566 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/state1.restart 105566 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/state2.restart 123395 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/temp.dat 123398 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/vdw_E.dat 123336 11-02-2022 15:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter6/vol.dat 0 11-07-2022 08:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/ 18 11-05-2022 13:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/AA_g_cnt.dat 0 11-05-2022 13:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/CG_Q.dat 18 11-05-2022 13:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/CG_g_cnt.dat 42 11-05-2022 13:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/Q.dat 48929 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/angle_E.dat 48929 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/bond_E.dat 2662 11-05-2022 13:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/cgTHF.lmp 598 11-05-2022 13:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/config.ini 48929 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/coul_E.dat 37341 11-05-2022 13:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/data.cgTHF 123355 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/enthalpy.dat 18 11-05-2022 13:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/g_cnt.dat 1708 11-05-2022 13:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/iter7.o39794462 0 02-15-2024 13:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/iter7.o39796951 123388 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/kinetic_E.dat 67689 11-05-2022 13:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/lammps_nb_THFTHF.table 405 11-05-2022 19:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/log.cite 379929 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/log.lammps 158 11-05-2022 13:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/log.txt 123399 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/potential_E.dat 125916 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/press.dat 553272 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/press_tens.dat 77 11-05-2022 13:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/psi.dat 756 11-05-2022 19:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/psub.sh 105566 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/state1.restart 105566 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/state2.restart 123381 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/temp.dat 123399 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/vdw_E.dat 123366 11-05-2022 20:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter7/vol.dat 0 11-09-2022 11:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/ 18 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/AA_g_cnt.dat 0 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/CG_Q.dat 18 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/CG_g_cnt.dat 42 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/Q.dat 48929 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/angle_E.dat 48929 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/bond_E.dat 2662 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/cgTHF.lmp 598 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/config.ini 48929 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/coul_E.dat 37341 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/data.cgTHF 123398 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/enthalpy.dat 18 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/g_cnt.dat 379287 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/iter8.o39814393 123320 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/kinetic_E.dat 67689 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/lammps_nb_THFTHF.table 405 11-07-2022 08:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/log.cite 379928 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/log.lammps 158 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/log.txt 123381 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/potential_E.dat 125909 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/press.dat 553351 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/press_tens.dat 77 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/psi.dat 664 11-07-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/psub.sh 105566 11-08-2022 20:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/state1.restart 105566 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/state2.restart 123371 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/temp.dat 123381 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/vdw_E.dat 123387 11-08-2022 20:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter8/vol.dat 0 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/ 18 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/AA_g_cnt.dat 0 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/CG_Q.dat 18 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/CG_g_cnt.dat 42 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/Q.dat 48929 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/angle_E.dat 48929 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/bond_E.dat 2664 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/cgTHF.lmp 598 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/config.ini 48929 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/coul_E.dat 37341 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/data.cgTHF 123372 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/enthalpy.dat 18 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/g_cnt.dat 378749 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/iter9.o39841189 123383 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/kinetic_E.dat 67689 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/lammps_nb_THFTHF.table 405 11-09-2022 11:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/log.cite 379932 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/log.lammps 158 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/log.txt 123372 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/potential_E.dat 125864 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/press.dat 553425 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/press_tens.dat 77 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/psi.dat 664 11-09-2022 11:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/psub.sh 105566 11-09-2022 12:42 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/state1.restart 105566 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/state2.restart 123387 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/temp.dat 123372 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/vdw_E.dat 123347 11-09-2022 12:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/iter9/vol.dat 67689 11-01-2022 13:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/lammps_nb_THFTHF.table 53040 11-01-2022 13:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/mappedaa.gro 1086 11-01-2022 15:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/pgo.sh 663 11-01-2022 13:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/psub.sh 0 11-01-2022 13:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/ 13059 11-01-2022 13:00 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/#md.log.1# 7145 11-01-2022 13:00 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/THFrerun180.o39746401 7490 11-01-2022 13:08 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/THFrerun180.o39746451 476 11-01-2022 12:47 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/cg_THF.top 2236 11-01-2022 12:47 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/cg_THF_NPT.mdp 810826 11-01-2022 13:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/cg_pressures.xvg 750827 11-01-2022 13:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/cg_volumes.xvg 37341 11-01-2022 13:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/data.cgTHF 533 11-01-2022 12:58 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/gromacs.sh 11705 11-01-2022 13:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/index.ndx 53040 11-01-2022 12:45 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/mappedaa.gro 1663855460 11-01-2022 12:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/mappedaa.trr 12216511 11-01-2022 13:08 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/md.log 12100 11-01-2022 12:58 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/mdout.mdp 6721116 11-01-2022 13:08 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/rerun.edr 20212 11-01-2022 12:58 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/rerun.tpr 170386 11-01-2022 13:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/table_THF_THF.xvg 833067768 11-01-2022 13:08 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/rerun/traj.trr 170386 11-01-2022 13:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/180K/pressure_matching/table_THF_THF.xvg 0 11-23-2022 11:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/ 0 11-14-2022 10:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/ 13255 11-14-2022 08:59 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/#md.log.1# 7448 11-14-2022 08:59 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/CG_THF215.o39915744 4193 11-14-2022 10:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/CG_THF215.o39915773 53040 11-14-2022 08:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/CG_start.gro 34901 11-14-2022 10:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/RDF_comp.agr 1894 11-14-2022 08:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/cg.mdp 20516 11-14-2022 08:58 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/cg.tpr 476 11-14-2022 08:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/cg_THF.top 24457 11-14-2022 10:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/cg_rdf.xvg 53033 11-14-2022 10:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/confout.gro 2100880 11-14-2022 10:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/ener.edr 486 11-14-2022 08:59 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/gromacs.sh 1889574 11-14-2022 10:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/md.log 10984 11-14-2022 08:58 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/mdout.mdp 20068 11-14-2022 10:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/state.cpt 20068 11-14-2022 10:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/state_prev.cpt 170419 11-14-2022 08:38 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/table_THF_THF.xvg 138867768 11-14-2022 10:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/CGSIM/traj.trr 0 11-05-2022 11:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/ 449333 11-03-2022 10:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/#confout.gro.1# 10508 11-03-2022 10:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/#ener.edr.1# 37202 11-03-2022 10:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/#md.log.1# 119928 11-03-2022 10:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/#traj.trr.1# 13630 11-03-2022 10:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/EM_1_bar.o39769312 4499 11-03-2022 10:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/EM_1_bar.o39769321 260052 11-03-2022 10:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/EM_1_bar.tpr 449333 11-03-2022 10:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/confout.gro 10508 11-03-2022 10:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/ener.edr 493 11-03-2022 10:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/gromacs.sh 37150 11-03-2022 10:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/md.log 11019 11-03-2022 10:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/mdout.mdp 119928 11-03-2022 10:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EM/traj.trr 0 11-05-2022 12:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/ 4485 11-05-2022 07:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/EQP_THF215.o39769675 260052 11-03-2022 11:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/NPTEq.tpr 688949 11-05-2022 07:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/confout.gro 1273392 11-05-2022 07:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/ener.edr 2671 11-03-2022 08:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/general.mdp 492 11-03-2022 09:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/gromacs.sh 1274720 11-05-2022 07:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/md.log 11003 11-03-2022 11:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/mdout.mdp 241816 11-05-2022 07:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/state.cpt 241816 11-05-2022 07:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/state_prev.cpt 719447544 11-05-2022 07:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/EQ/traj.trr 449346 11-03-2022 08:51 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/THF.gro 7374 11-03-2022 08:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/THF.itp 109 11-03-2022 08:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/THF.top 0 11-14-2022 08:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/ 6236 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/FORCEMATCH.o39915656 688979 11-14-2022 08:55 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/aa_whole_start.gro 595 11-14-2022 08:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/cg.btp 20516 11-14-2022 08:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/cg.tpr 476 11-14-2022 08:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/cg_THF.top 97394 11-14-2022 08:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/cg_tpr.dump 14819 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/f_forces.Pair_Interaction.total.THFTHF.dat 1508 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/f_struct.Pair_Interaction.total.THFTHF.dat 1508 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 982 11-14-2022 08:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematch.sh 0 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/ 14819 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/L.Pair_Interaction.total.THFTHF.dat 1508 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/L_coeff.Pair_Interaction.total.THFTHF.dat 14819 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/b_forces.Pair_Interaction.total.THFTHF.dat 1508 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/b_struct.Pair_Interaction.total.THFTHF.dat 1508 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 14819 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/g.Pair_Interaction.total.THFTHF.dat 14819 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.THFTHF.dat 1508 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1508 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/g_coeff.Pair_Interaction.total.THFTHF.dat 23 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/save.FF.dat 68212 11-14-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/mapandmatch/forcematchresults/save.G.dat 1425 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thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter0/press.dat 553373 11-14-2022 15:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter0/press_tens.dat 77 11-14-2022 12:54 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter0/psi.dat 664 11-14-2022 12:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter0/psub.sh 105566 11-14-2022 15:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter0/state1.restart 105566 11-14-2022 15:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter0/state2.restart 123405 11-14-2022 15:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter0/temp.dat 123382 11-14-2022 15:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter0/vdw_E.dat 123336 11-14-2022 15:17 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11-14-2022 15:39 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/config.ini 48929 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/coul_E.dat 37343 11-14-2022 15:39 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/data.cgTHF 123347 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/enthalpy.dat 18 11-14-2022 15:39 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/g_cnt.dat 378750 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/iter1.o39926167 123339 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/kinetic_E.dat 67718 11-14-2022 15:39 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/lammps_nb_THFTHF.table 405 11-14-2022 15:42 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/log.cite 379933 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/log.lammps 158 11-14-2022 15:39 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/log.txt 123367 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/potential_E.dat 125935 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/press.dat 553382 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/press_tens.dat 77 11-14-2022 15:39 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/psi.dat 664 11-14-2022 15:39 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/psub.sh 105566 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/state1.restart 105566 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/state2.restart 123331 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/temp.dat 123367 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/vdw_E.dat 123371 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter1/vol.dat 0 08-31-2023 12:39 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/ 18 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/AA_g_cnt.dat 0 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/CG_Q.dat 18 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/CG_g_cnt.dat 42 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/Q.dat 48929 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/angle_E.dat 48929 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/bond_E.dat 2662 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/cgTHF.lmp 598 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/config.ini 48929 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/coul_E.dat 37343 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/data.cgTHF 123379 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/enthalpy.dat 18 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/g_cnt.dat 0 02-15-2024 13:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/iter2.o39938863 123398 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/kinetic_E.dat 67718 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/lammps_nb_THFTHF.table 405 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/log.cite 379930 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/log.lammps 158 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/log.txt 123353 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/potential_E.dat 125935 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/press.dat 553322 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/press_tens.dat 78 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/psi.dat 664 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/psub.sh 105566 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/state1.restart 105566 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/state2.restart 123396 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/temp.dat 123353 11-15-2022 09:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/vdw_E.dat 123371 11-15-2022 18:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter2/vol.dat 0 08-31-2023 12:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/ 18 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/AA_g_cnt.dat 0 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/CG_Q.dat 18 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/CG_g_cnt.dat 42 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/Q.dat 48929 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/angle_E.dat 48929 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/bond_E.dat 2663 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/cgTHF.lmp 598 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/config.ini 48929 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/coul_E.dat 37343 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/data.cgTHF 123435 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/enthalpy.dat 18 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/g_cnt.dat 378753 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/iter3.o39940202 123382 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/kinetic_E.dat 67718 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/lammps_nb_THFTHF.table 405 11-15-2022 10:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/log.cite 379935 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/log.lammps 158 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/log.txt 123354 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/potential_E.dat 125934 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/press.dat 553301 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/press_tens.dat 78 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/psi.dat 664 11-15-2022 10:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/psub.sh 105566 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/state1.restart 105566 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/state2.restart 123383 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/temp.dat 123354 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/vdw_E.dat 123356 11-15-2022 11:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter3/vol.dat 0 08-31-2023 12:42 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/ 18 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/AA_g_cnt.dat 0 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/CG_Q.dat 18 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/CG_g_cnt.dat 42 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/Q.dat 48929 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/angle_E.dat 48929 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/bond_E.dat 2663 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/cgTHF.lmp 598 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/config.ini 48929 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/coul_E.dat 37343 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/data.cgTHF 123383 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/enthalpy.dat 18 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/g_cnt.dat 378749 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/iter4.o39942785 123374 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/kinetic_E.dat 67718 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/lammps_nb_THFTHF.table 405 11-15-2022 12:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/log.cite 379931 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/log.lammps 158 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/log.txt 123354 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/potential_E.dat 125922 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/press.dat 553263 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/press_tens.dat 78 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/psi.dat 664 11-15-2022 12:15 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/psub.sh 105566 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/state1.restart 105566 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/state2.restart 123393 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/temp.dat 123354 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/vdw_E.dat 123363 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter4/vol.dat 0 08-31-2023 12:42 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/ 18 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/AA_g_cnt.dat 0 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/CG_Q.dat 18 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/CG_g_cnt.dat 42 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/Q.dat 48929 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/angle_E.dat 48929 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/bond_E.dat 2663 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/cgTHF.lmp 598 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/config.ini 48929 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/coul_E.dat 37343 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/data.cgTHF 123327 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/enthalpy.dat 18 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/g_cnt.dat 0 02-15-2024 13:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/iter5.o39945935 123347 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/kinetic_E.dat 67718 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/lammps_nb_THFTHF.table 405 11-15-2022 14:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/log.cite 379934 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/log.lammps 158 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/log.txt 123367 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/potential_E.dat 125945 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/press.dat 553451 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/press_tens.dat 78 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/psi.dat 664 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/psub.sh 105566 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/state1.restart 105566 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/state2.restart 123361 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/temp.dat 123367 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/vdw_E.dat 123429 11-15-2022 15:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter5/vol.dat 0 09-01-2023 10:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/ 18 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/AA_g_cnt.dat 0 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/CG_Q.dat 18 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/CG_g_cnt.dat 42 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/Q.dat 48929 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/angle_E.dat 48929 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/bond_E.dat 2663 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/cgTHF.lmp 598 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/config.ini 48929 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/coul_E.dat 37343 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/data.cgTHF 123386 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/enthalpy.dat 18 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/g_cnt.dat 0 02-15-2024 13:39 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/iter6.o39951164 123354 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/kinetic_E.dat 67718 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/lammps_nb_THFTHF.table 405 11-15-2022 19:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/log.cite 379929 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/log.lammps 158 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/log.txt 123377 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/potential_E.dat 125924 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/press.dat 553448 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/press_tens.dat 78 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/psi.dat 664 11-15-2022 19:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/psub.sh 105566 11-15-2022 21:04 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/state1.restart 105566 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/state2.restart 123391 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/temp.dat 123377 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/vdw_E.dat 123377 11-15-2022 21:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/iter6/vol.dat 67718 11-14-2022 12:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/lammps_nb_THFTHF.table 1086 11-14-2022 12:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/pgo.sh 764306 09-03-2023 20:06 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/press.dat 663 11-14-2022 12:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/psub.sh 0 11-14-2022 12:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/215K/pressure_matching/rerun/ 13058 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thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.THFTHF.dat 1508 11-14-2022 08:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/mapandmatch/forcematchresults/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1508 11-14-2022 08:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/mapandmatch/forcematchresults/g_coeff.Pair_Interaction.total.THFTHF.dat 23 11-14-2022 08:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/mapandmatch/forcematchresults/save.FF.dat 68222 11-14-2022 08:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/mapandmatch/forcematchresults/save.G.dat 1425 11-14-2022 08:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/mapandmatch/forcematchresults/save.L.dat 55293 11-14-2022 08:25 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/mapandmatch/forcematchresults/save.M.dat 54150 11-14-2022 08:25 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thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/log.lammps 158 11-14-2022 15:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/log.txt 123388 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/potential_E.dat 125884 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/press.dat 553363 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/press_tens.dat 76 11-14-2022 15:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/psi.dat 664 11-14-2022 15:40 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/psub.sh 105566 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/state1.restart 105566 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/state2.restart 123380 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/temp.dat 123388 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/vdw_E.dat 123381 11-14-2022 16:52 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter1/vol.dat 0 08-31-2023 12:49 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/ 18 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/AA_g_cnt.dat 0 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/CG_Q.dat 18 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/CG_g_cnt.dat 42 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/Q.dat 48929 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/angle_E.dat 48929 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/bond_E.dat 2659 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/cgTHF.lmp 598 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/config.ini 48929 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/coul_E.dat 37339 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/data.cgTHF 123379 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/enthalpy.dat 18 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/g_cnt.dat 378753 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/iter2.o39938866 123431 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/kinetic_E.dat 67731 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/lammps_nb_THFTHF.table 405 11-15-2022 08:23 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/log.cite 379931 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/log.lammps 158 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/log.txt 123406 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/potential_E.dat 125925 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/press.dat 553477 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/press_tens.dat 76 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/psi.dat 664 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/psub.sh 105566 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/state1.restart 105566 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/state2.restart 123383 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/temp.dat 123406 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/vdw_E.dat 123348 11-15-2022 09:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter2/vol.dat 0 08-31-2023 12:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/ 18 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/AA_g_cnt.dat 0 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/CG_Q.dat 18 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/CG_g_cnt.dat 42 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/Q.dat 48929 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/angle_E.dat 48929 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/bond_E.dat 2659 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/cgTHF.lmp 598 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/config.ini 48929 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/coul_E.dat 37339 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/data.cgTHF 123406 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/enthalpy.dat 18 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/g_cnt.dat 378753 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/iter3.o39940204 123323 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/kinetic_E.dat 67731 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/lammps_nb_THFTHF.table 405 11-15-2022 10:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/log.cite 379931 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/log.lammps 158 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/log.txt 123332 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/potential_E.dat 125919 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/press.dat 553378 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/press_tens.dat 76 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/psi.dat 664 11-15-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/psub.sh 105566 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/state1.restart 105566 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/state2.restart 123378 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/temp.dat 123332 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/vdw_E.dat 123385 11-15-2022 11:37 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter3/vol.dat 0 08-31-2023 12:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/ 18 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/AA_g_cnt.dat 0 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/CG_Q.dat 18 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/CG_g_cnt.dat 42 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/Q.dat 48929 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/angle_E.dat 48929 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/bond_E.dat 2659 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/cgTHF.lmp 598 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/config.ini 48929 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/coul_E.dat 37339 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/data.cgTHF 123407 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/enthalpy.dat 18 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/g_cnt.dat 260052 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/iter4.o39942800 123419 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/kinetic_E.dat 67731 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/lammps_nb_THFTHF.table 405 11-15-2022 12:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/log.cite 379928 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/log.lammps 158 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/log.txt 123333 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/potential_E.dat 125956 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/press.dat 553366 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/press_tens.dat 76 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/psi.dat 664 11-15-2022 12:16 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/psub.sh 105566 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/state1.restart 105566 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/state2.restart 123357 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/temp.dat 123333 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/vdw_E.dat 123405 11-15-2022 13:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter4/vol.dat 0 08-31-2023 12:50 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/ 18 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/AA_g_cnt.dat 0 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/CG_Q.dat 18 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/CG_g_cnt.dat 42 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/Q.dat 48929 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/angle_E.dat 48929 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/bond_E.dat 2659 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/cgTHF.lmp 598 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/config.ini 48929 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/coul_E.dat 37339 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/data.cgTHF 123409 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/enthalpy.dat 18 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/g_cnt.dat 378751 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/iter5.o39945940 123380 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/kinetic_E.dat 67731 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/lammps_nb_THFTHF.table 405 11-15-2022 14:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/log.cite 379929 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/log.lammps 158 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/log.txt 123377 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/potential_E.dat 125916 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/press.dat 553399 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/press_tens.dat 76 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/psi.dat 664 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/psub.sh 105566 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/state1.restart 105566 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/state2.restart 123403 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/temp.dat 123377 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/vdw_E.dat 123392 11-15-2022 15:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter5/vol.dat 0 09-02-2023 18:28 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/ 18 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/AA_g_cnt.dat 0 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/CG_Q.dat 18 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/CG_g_cnt.dat 42 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/Q.dat 48929 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/angle_E.dat 48929 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/bond_E.dat 2657 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/cgTHF.lmp 598 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/config.ini 48929 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/coul_E.dat 37339 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/data.cgTHF 123381 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/enthalpy.dat 18 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/g_cnt.dat 378751 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/iter6.o39951195 123389 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/kinetic_E.dat 67731 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/lammps_nb_THFTHF.table 405 11-15-2022 19:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/log.cite 379927 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/log.lammps 158 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/log.txt 123371 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/potential_E.dat 125928 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/press.dat 553483 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/press_tens.dat 76 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/psi.dat 664 11-15-2022 19:53 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/psub.sh 105566 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/state1.restart 105566 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/state2.restart 123386 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/temp.dat 123371 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/vdw_E.dat 123372 11-15-2022 21:03 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/250K/pressure_matching/iter6/vol.dat 67731 11-14-2022 13:50 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thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/mapandmatch/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 984 11-15-2022 18:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/mapandmatch/forcematch.sh 0 11-15-2022 18:38 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/mapandmatch/forcematchresults/ 14819 11-15-2022 18:38 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/mapandmatch/forcematchresults/L.Pair_Interaction.total.THFTHF.dat 1508 11-15-2022 18:38 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/mapandmatch/forcematchresults/L_coeff.Pair_Interaction.total.THFTHF.dat 14819 11-15-2022 18:38 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/mapandmatch/forcematchresults/b_forces.Pair_Interaction.total.THFTHF.dat 1508 11-15-2022 18:38 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/mapandmatch/forcematchresults/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 11-15-2022 18:38 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thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter0/log.lammps 79 11-15-2022 19:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter0/log.txt 123388 11-15-2022 21:59 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter0/potential_E.dat 125932 11-15-2022 21:59 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter0/press.dat 553403 11-15-2022 21:59 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter0/press_tens.dat 77 11-15-2022 19:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter0/psi.dat 664 11-15-2022 19:46 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter0/psub.sh 105566 11-15-2022 21:58 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter0/state1.restart 105566 11-15-2022 21:59 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48929 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/angle_E.dat 48929 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/bond_E.dat 2659 11-15-2022 22:04 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/cgTHF.lmp 598 11-15-2022 22:04 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/config.ini 48929 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/coul_E.dat 37364 11-15-2022 22:04 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/data.cgTHF 123304 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/enthalpy.dat 18 11-15-2022 22:04 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/g_cnt.dat 378752 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/iter1.o39953473 123385 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/kinetic_E.dat 67750 11-15-2022 22:04 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/lammps_nb_THFTHF.table 405 11-15-2022 22:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/log.cite 379930 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/log.lammps 158 11-15-2022 22:04 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/log.txt 123367 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/potential_E.dat 125814 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/press.dat 553438 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/press_tens.dat 78 11-15-2022 22:04 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/psi.dat 664 11-15-2022 22:04 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/psub.sh 105566 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/state1.restart 105566 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/state2.restart 123401 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/temp.dat 123367 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/vdw_E.dat 123405 11-15-2022 23:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter1/vol.dat 0 08-31-2023 12:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/ 18 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/AA_g_cnt.dat 0 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/CG_Q.dat 18 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/CG_g_cnt.dat 42 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/Q.dat 48929 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/angle_E.dat 48929 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/bond_E.dat 2659 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/cgTHF.lmp 598 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/config.ini 48929 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/coul_E.dat 37364 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/data.cgTHF 123370 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/enthalpy.dat 18 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/g_cnt.dat 378751 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/iter2.o39957477 123387 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/kinetic_E.dat 67750 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/lammps_nb_THFTHF.table 405 11-16-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/log.cite 379929 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/log.lammps 158 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/log.txt 123391 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/potential_E.dat 125959 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/press.dat 553290 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/press_tens.dat 78 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/psi.dat 664 11-16-2022 08:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/psub.sh 105566 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/state1.restart 105566 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/state2.restart 123381 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/temp.dat 123391 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/vdw_E.dat 123363 11-16-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter2/vol.dat 0 08-31-2023 12:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/ 18 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/AA_g_cnt.dat 0 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/CG_Q.dat 18 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/CG_g_cnt.dat 42 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/Q.dat 48929 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/angle_E.dat 48929 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/bond_E.dat 2659 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/cgTHF.lmp 598 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/config.ini 48929 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/coul_E.dat 37364 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/data.cgTHF 123365 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/enthalpy.dat 18 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/g_cnt.dat 378751 11-16-2022 10:29 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/iter3.o39957654 378751 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/iter3.o39958101 123339 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/kinetic_E.dat 67750 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/lammps_nb_THFTHF.table 405 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/log.cite 379929 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/log.lammps 158 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/log.txt 123397 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/potential_E.dat 125978 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/press.dat 553411 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/press_tens.dat 78 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/psi.dat 664 11-16-2022 11:07 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/psub.sh 105566 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/state1.restart 105566 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/state2.restart 123394 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/temp.dat 123397 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/vdw_E.dat 123419 11-16-2022 12:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter3/vol.dat 0 08-31-2023 12:56 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/ 18 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/AA_g_cnt.dat 0 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/CG_Q.dat 18 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/CG_g_cnt.dat 42 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/Q.dat 48929 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/angle_E.dat 48929 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/bond_E.dat 2659 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/cgTHF.lmp 598 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/config.ini 48929 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/coul_E.dat 37364 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/data.cgTHF 123411 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/enthalpy.dat 18 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/g_cnt.dat 378751 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/iter4.o39958080 123347 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/kinetic_E.dat 67750 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/lammps_nb_THFTHF.table 405 11-16-2022 11:06 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/log.cite 379929 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/log.lammps 158 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/log.txt 123398 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/potential_E.dat 126026 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/press.dat 553491 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/press_tens.dat 78 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/psi.dat 664 11-16-2022 11:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/psub.sh 105566 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/state1.restart 105566 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/state2.restart 123401 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/temp.dat 123398 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/vdw_E.dat 123358 11-16-2022 12:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter4/vol.dat 0 08-31-2023 12:57 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/ 18 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/AA_g_cnt.dat 0 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/CG_Q.dat 18 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/CG_g_cnt.dat 42 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/Q.dat 48929 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/angle_E.dat 48929 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/bond_E.dat 2659 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/cgTHF.lmp 598 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/config.ini 48929 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/coul_E.dat 37364 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/data.cgTHF 123409 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/enthalpy.dat 18 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/g_cnt.dat 378745 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/iter5.o39959599 123386 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/kinetic_E.dat 67750 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/lammps_nb_THFTHF.table 405 11-16-2022 12:35 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/log.cite 379923 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/log.lammps 158 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/log.txt 123342 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/potential_E.dat 125908 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/press.dat 553282 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/press_tens.dat 78 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/psi.dat 664 11-16-2022 12:34 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/psub.sh 105566 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/state1.restart 105566 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/state2.restart 123391 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/temp.dat 123342 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/vdw_E.dat 123374 11-17-2022 06:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/iter5/vol.dat 67750 11-15-2022 19:23 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/lammps_nb_THFTHF.table 1086 11-15-2022 19:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/pgo.sh 764773 09-03-2023 20:10 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/press.dat 663 11-15-2022 19:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/psub.sh 0 11-15-2022 20:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/rerun/ 7835 11-15-2022 19:12 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/rerun/THFrerun285.o39950618 476 11-15-2022 18:59 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/rerun/cg_THF.top 2236 11-15-2022 19:08 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/rerun/cg_THF_NPT.mdp 37425 11-15-2022 19:23 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/rerun/data.cgTHF 37425 11-15-2022 20:05 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/rerun/data.cgTHF2 37447 11-15-2022 20:27 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/rerun/data.cgTHF3 11705 11-15-2022 19:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/rerun/index.ndx 67750 11-15-2022 19:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/rerun/lammps_nb_THFTHF.table 53040 11-15-2022 19:00 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/rerun/mappedaa.gro 1663855460 11-15-2022 19:00 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/285K/pressure_matching/rerun/mappedaa.trr 12216514 11-15-2022 19:12 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thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/kinetic_E.dat 67876 11-14-2022 14:18 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/lammps_nb_THFTHF.table 405 11-14-2022 14:23 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/log.cite 379941 11-14-2022 15:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/log.lammps 79 11-14-2022 14:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/log.txt 123836 11-14-2022 15:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/potential_E.dat 125948 11-14-2022 15:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/press.dat 553259 11-14-2022 15:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/press_tens.dat 77 11-14-2022 14:13 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/psi.dat 665 11-14-2022 14:19 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/psub.sh 105566 11-14-2022 15:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/state1.restart 105566 11-14-2022 15:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/state2.restart 123412 11-14-2022 15:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/temp.dat 123836 11-14-2022 15:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/vdw_E.dat 123350 11-14-2022 15:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter0/vol.dat 0 08-31-2023 12:59 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/ 18 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/AA_g_cnt.dat 0 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/CG_Q.dat 18 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/CG_g_cnt.dat 42 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/Q.dat 48929 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/angle_E.dat 48929 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/bond_E.dat 2659 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/cgTHF.lmp 598 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/config.ini 48929 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/coul_E.dat 37371 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/data.cgTHF 123325 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/enthalpy.dat 18 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/g_cnt.dat 378750 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/iter1.o39926229 123402 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/kinetic_E.dat 67876 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/lammps_nb_THFTHF.table 405 11-14-2022 15:44 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/log.cite 379928 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/log.lammps 158 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/log.txt 123935 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/potential_E.dat 125960 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/press.dat 553368 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/press_tens.dat 78 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/psi.dat 664 11-14-2022 15:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/psub.sh 105566 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/state1.restart 105566 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/state2.restart 123387 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/temp.dat 123935 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/vdw_E.dat 123319 11-14-2022 16:48 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter1/vol.dat 0 08-31-2023 12:59 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/ 18 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/AA_g_cnt.dat 0 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/CG_Q.dat 18 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/CG_g_cnt.dat 42 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/Q.dat 48929 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/angle_E.dat 48929 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/bond_E.dat 2659 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/cgTHF.lmp 598 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/config.ini 48929 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/coul_E.dat 37371 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/data.cgTHF 123353 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/enthalpy.dat 18 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/g_cnt.dat 378750 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/iter2.o39938868 123363 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/kinetic_E.dat 67876 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/lammps_nb_THFTHF.table 405 11-15-2022 08:23 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/log.cite 379928 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/log.lammps 158 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/log.txt 123938 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/potential_E.dat 125922 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/press.dat 553324 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/press_tens.dat 78 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/psi.dat 664 11-15-2022 08:21 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/psub.sh 105566 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/state1.restart 105566 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/state2.restart 123365 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/temp.dat 123938 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/vdw_E.dat 123379 11-15-2022 09:24 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter2/vol.dat 0 08-31-2023 12:59 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/ 18 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/AA_g_cnt.dat 0 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/CG_Q.dat 18 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/CG_g_cnt.dat 42 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/Q.dat 48929 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/angle_E.dat 48929 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/bond_E.dat 2659 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/cgTHF.lmp 598 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/config.ini 48929 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/coul_E.dat 37371 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/data.cgTHF 123381 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/enthalpy.dat 18 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/g_cnt.dat 378753 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/iter3.o39939336 123390 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/kinetic_E.dat 67876 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/lammps_nb_THFTHF.table 405 11-15-2022 09:31 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/log.cite 379931 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/log.lammps 158 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/log.txt 123919 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/potential_E.dat 125936 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/press.dat 553521 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/press_tens.dat 78 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/psi.dat 664 11-15-2022 09:30 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/psub.sh 105566 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/state1.restart 105566 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/state2.restart 123327 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/temp.dat 123919 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/vdw_E.dat 123379 11-15-2022 10:32 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter3/vol.dat 0 08-31-2023 13:00 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/ 18 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/AA_g_cnt.dat 0 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/CG_Q.dat 18 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/CG_g_cnt.dat 42 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/Q.dat 48929 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/angle_E.dat 48929 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/bond_E.dat 2659 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/cgTHF.lmp 598 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/config.ini 48929 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/coul_E.dat 37371 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/data.cgTHF 123359 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/enthalpy.dat 18 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/g_cnt.dat 260052 02-15-2024 13:43 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/iter4.o39942825 123348 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/kinetic_E.dat 67876 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/lammps_nb_THFTHF.table 405 11-15-2022 12:20 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/log.cite 379930 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/log.lammps 158 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/log.txt 123966 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/potential_E.dat 125893 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/press.dat 553473 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/press_tens.dat 78 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/psi.dat 664 11-15-2022 12:17 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/psub.sh 105566 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/state1.restart 105566 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/state2.restart 123329 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/temp.dat 123966 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/vdw_E.dat 123372 11-15-2022 13:22 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter4/vol.dat 0 08-31-2023 13:00 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/ 18 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/AA_g_cnt.dat 0 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/CG_Q.dat 18 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/CG_g_cnt.dat 42 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/Q.dat 48929 11-15-2022 15:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/angle_E.dat 48929 11-15-2022 15:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/bond_E.dat 2659 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/cgTHF.lmp 598 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/config.ini 48929 11-15-2022 15:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/coul_E.dat 37371 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/data.cgTHF 123344 11-15-2022 15:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/enthalpy.dat 18 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/g_cnt.dat 378752 11-15-2022 15:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/iter5.o39945948 123395 11-15-2022 15:14 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/kinetic_E.dat 67876 11-15-2022 14:09 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/lammps_nb_THFTHF.table 405 11-15-2022 14:11 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter5/log.cite 379930 11-15-2022 15:14 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48929 11-15-2022 22:46 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter6/angle_E.dat 48929 11-15-2022 22:46 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter6/bond_E.dat 2659 11-15-2022 21:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter6/cgTHF.lmp 598 11-15-2022 21:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter6/config.ini 48929 11-15-2022 22:46 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter6/coul_E.dat 37371 11-15-2022 21:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter6/data.cgTHF 123377 11-15-2022 22:46 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter6/enthalpy.dat 18 11-15-2022 21:41 thf-data/aa_sims_cg_opt/NPT/diagnol_1_bar_statepoints/320K/pressure_matching/iter6/g_cnt.dat 260052 02-15-2024 13:43 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/f_struct.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/forcematch.sh 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/g.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/g_cnt.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/g_coeff.Pair_Interaction.total.THFTHF.dat 72 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/inp.txt 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/log.txt 53040 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/mappedaa.gro 1663855460 01-26-2024 19:57 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/mappedaa.trr 911 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/out.total.txt 529 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/par.txt 23 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.FF.dat 68242 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.G.dat 1425 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.L.dat 55299 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.M.dat 54150 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.M2.dat 7 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.Nf.dat 1450 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.b_forces.dat 1468 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.b_struct.dat 55729 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.d2M.dat 1615 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.d2b.dat 1469 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.g.dat 1589 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.g_cnt.dat 1589 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/save.rescale.dat 2001 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/summarize_input.txt 170439 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/table_THF_THF.xvg 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/ 5179 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/FM.out 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/L.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/L_coeff.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/b_forces.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/b_struct.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 595 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/cg.btp 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/f_forces.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/f_struct.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/forcematch.sh 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/g.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/g_cnt.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/g_coeff.Pair_Interaction.total.THFTHF.dat 72 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/inp.txt 7908 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/log.txt 53040 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/mappedaa.gro 1663855460 01-26-2024 19:58 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/mappedaa.trr 911 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/out.total.txt 529 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/par.txt 23 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/save.FF.dat 68242 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/save.G.dat 1425 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/MAPANDMATCH/v5/save.L.dat 55299 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/data.cgTHF 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/Q.dat 5468 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/THF_RDF.out 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/angle_E.dat 48929 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/iter6 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/kinetic_E.dat 67743 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/log.cite 379941 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/log.txt 19360528 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/outfile.xtc 123383 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/potential_E.dat 123451 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/press.dat 553346 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/psi.dat 539 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/psub.sh 672 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/rdf.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/state2.restart 123390 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/temp.dat 123383 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/vdw_E.dat 123404 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/get_rdf/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/ 50 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/cgTHF.lmp 780811 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/cg_pressures.xvg 750813 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/config.ini 581 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/coul_E.dat 37352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/data.cgTHF 123389 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/g_cnt.dat 379154 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/iter0 123384 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/kinetic_E.dat 67743 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/log.cite 379940 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/log.lammps 79 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/log.txt 123374 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/potential_E.dat 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/press.dat 553408 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/psi.dat 539 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/state2.restart 123371 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/temp.dat 123374 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/vdw_E.dat 123372 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter0/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/bond_E.dat 2672 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/coul_E.dat 37352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/data.cgTHF 123347 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/g_cnt.dat 379156 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/iter1 123366 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/kinetic_E.dat 67743 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/log.cite 379941 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/log.txt 123380 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/potential_E.dat 123396 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/press.dat 553343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/psi.dat 539 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/state2.restart 123374 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/temp.dat 123380 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/vdw_E.dat 123411 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter1/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/bond_E.dat 2672 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/coul_E.dat 37352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/data.cgTHF 123359 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/g_cnt.dat 378958 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/iter2 123372 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/kinetic_E.dat 67743 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/log.cite 379942 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/log.txt 123348 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/potential_E.dat 123365 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/press.dat 553477 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/psi.dat 539 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/state2.restart 123371 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/temp.dat 123348 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/vdw_E.dat 123345 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter2/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/bond_E.dat 2672 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/coul_E.dat 37352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/data.cgTHF 123364 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/g_cnt.dat 378955 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/iter3 123341 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/kinetic_E.dat 67743 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/log.cite 379939 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/log.txt 123360 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/potential_E.dat 123382 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/press.dat 553429 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/psi.dat 539 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/state2.restart 123402 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/temp.dat 123360 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/vdw_E.dat 123362 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter3/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/bond_E.dat 2672 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/coul_E.dat 37352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/data.cgTHF 123397 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/iter4 123382 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/kinetic_E.dat 67743 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/log.cite 379941 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/log.txt 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/potential_E.dat 123382 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/press.dat 553264 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/psi.dat 539 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/state2.restart 123360 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/temp.dat 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/vdw_E.dat 123352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter4/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/bond_E.dat 2672 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/coul_E.dat 37352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/data.cgTHF 123408 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/iter5 123356 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/kinetic_E.dat 67743 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/log.cite 379941 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/log.txt 123389 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/potential_E.dat 123412 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/press.dat 553274 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/psi.dat 539 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/state2.restart 123383 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/temp.dat 123389 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/vdw_E.dat 123340 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter5/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/bond_E.dat 2672 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/coul_E.dat 37352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/data.cgTHF 123375 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/g_cnt.dat 378958 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/iter6 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/kinetic_E.dat 67743 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/log.cite 379942 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/log.txt 123383 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/potential_E.dat 123451 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/press.dat 553346 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/psi.dat 539 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/state2.restart 123390 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/temp.dat 123383 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/vdw_E.dat 123404 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/iter6/vol.dat 67743 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/lammps_nb_THFTHF.table 1088 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/pgo.sh 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/psub.sh 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/ 780786 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/#cg_pressures.xvg.1# 750813 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/#cg_volumes.xvg.1# 25275 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/#mapped_aa_rdf.xvg.1# 6684 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/THF_RDF.out 2261 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/cg_THF.mdp 780811 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/cg_pressures.xvg 750813 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/cg_volumes.xvg 67743 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/lammps_nb_THFTHF.table 25281 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 19:58 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/mappedaa.trr 12219604 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/md.log 12074 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/mdout.mdp 684 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/rdf.sh 8827 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/rerun 6721116 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/rerun.tpr 170439 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/320/pressure_matching/rerun/traj.trr 37352 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/data.cgTHF 149789 01-26-2024 19:38 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/index.ndx 53040 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/104/mappedaa.gro 0 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/ 0 01-26-2024 19:40 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/ 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/MAPANDMATCH/ 5179 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/MAPANDMATCH/FM.out 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/MAPANDMATCH/L.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/MAPANDMATCH/L_coeff.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/MAPANDMATCH/b_forces.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/MAPANDMATCH/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/MAPANDMATCH/b_struct.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/MAPANDMATCH/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 595 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/MAPANDMATCH/cg.btp 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/iter6 123370 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/log.cite 379944 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/log.txt 123372 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/potential_E.dat 123375 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/press.dat 553279 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/psub.sh 675 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/rdf.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/state2.restart 123367 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/temp.dat 123372 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/vdw_E.dat 123415 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/get_rdf/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/ 1273 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/NAME 51 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/bond_E.dat 2677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/cgTHF.lmp 810794 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/cg_pressures.xvg 750785 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/config.ini 581 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/data.cgTHF 123404 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/g_cnt.dat 378955 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/iter0 123358 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/log.cite 379944 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/log.lammps 79 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/log.txt 123381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/potential_E.dat 123435 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/press.dat 553555 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/state2.restart 123393 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/temp.dat 123381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/vdw_E.dat 123389 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter0/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/bond_E.dat 2677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/data.cgTHF 123381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/g_cnt.dat 378954 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/iter1 123409 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/log.cite 379943 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/log.txt 123395 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/potential_E.dat 123406 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/press.dat 553406 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/state2.restart 123327 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/temp.dat 123395 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/vdw_E.dat 123372 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter1/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/bond_E.dat 2677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/data.cgTHF 123328 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/g_cnt.dat 378955 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/iter2 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/log.cite 379944 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/log.txt 123355 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/potential_E.dat 123367 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/press.dat 553202 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/state2.restart 123357 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/temp.dat 123355 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/vdw_E.dat 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter2/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/bond_E.dat 2677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/data.cgTHF 123344 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/iter3 123421 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/log.cite 379946 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/log.txt 123422 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/potential_E.dat 123422 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/press.dat 553480 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/state2.restart 123399 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/temp.dat 123422 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/vdw_E.dat 123398 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter3/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/bond_E.dat 2677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/data.cgTHF 123346 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/iter4 123387 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/log.cite 379946 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/log.txt 123364 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/potential_E.dat 123351 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/press.dat 553504 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/state2.restart 123381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/temp.dat 123364 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/vdw_E.dat 123333 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter4/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/bond_E.dat 2677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/data.cgTHF 123380 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/g_cnt.dat 378954 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/iter5 123340 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/log.cite 379943 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/log.txt 123413 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/potential_E.dat 123419 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/press.dat 553590 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/state2.restart 123357 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/temp.dat 123413 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/vdw_E.dat 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter5/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/bond_E.dat 2677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/data.cgTHF 123343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/g_cnt.dat 378955 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/iter6 123370 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/log.cite 379944 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/log.txt 123372 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/potential_E.dat 123375 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/press.dat 553279 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/state2.restart 123367 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/temp.dat 123372 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/vdw_E.dat 123415 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/iter6/vol.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/lammps_nb_THFTHF.table 1088 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/pgo.sh 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/psub.sh 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/ 810817 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/#cg_pressures.xvg.1# 750796 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/#cg_volumes.xvg.1# 24251 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/#mapped_aa_rdf.xvg.1# 6645 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/#md.log.1# 11014 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/#mdout.mdp.1# 20516 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/#rerun.tpr.1# 6715 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/THF_RDF.out 2262 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/cg_THF.mdp 810794 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/cg_pressures.xvg 750785 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/cg_volumes.xvg 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/lammps_nb_THFTHF.table 24253 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 19:58 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/mappedaa.trr 12219594 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/md.log 12074 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/mdout.mdp 683 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/rdf.sh 8810 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/rerun 6721116 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/rerun/rerun.tpr 170375 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/log.cite 379918 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/log.lammps 19291432 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/outfile.xtc 123418 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/potential_E.dat 123356 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/press.dat 553644 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/state2.restart 123370 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/temp.dat 123418 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/vdw_E.dat 123397 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/215/pressure_matching/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/ 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/MAPANDMATCH/ 6079 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/MAPANDMATCH/FM.out 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/MAPANDMATCH/L.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 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48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/data.cgTHF 123390 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/g_cnt.dat 378952 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/iter1 123376 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/log.cite 379937 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/log.txt 123384 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/potential_E.dat 123371 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/press.dat 553117 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/state2.restart 123367 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/temp.dat 123384 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/vdw_E.dat 123351 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter1/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/data.cgTHF 123344 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/g_cnt.dat 379153 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/iter2 123351 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/log.cite 379939 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/log.txt 123380 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/potential_E.dat 123374 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/press.dat 553392 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/state2.restart 123389 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/temp.dat 123380 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/vdw_E.dat 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter2/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/data.cgTHF 123392 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/g_cnt.dat 379150 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/iter3 123379 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/log.cite 379936 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/log.txt 123384 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/potential_E.dat 123334 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/press.dat 553455 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/state2.restart 123386 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/temp.dat 123384 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/vdw_E.dat 123401 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter3/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/data.cgTHF 123397 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/iter4 123416 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/log.cite 379942 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/log.txt 123333 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/potential_E.dat 123336 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/press.dat 553341 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/state2.restart 123356 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/temp.dat 123333 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/vdw_E.dat 123373 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter4/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/data.cgTHF 123374 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/g_cnt.dat 378956 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/iter5 123351 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/log.cite 379941 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/log.txt 123337 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/potential_E.dat 123314 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/press.dat 553402 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/state2.restart 123339 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/temp.dat 123337 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/vdw_E.dat 123334 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter5/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/data.cgTHF 123392 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/iter6 123381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/log.cite 379942 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/log.txt 123362 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/potential_E.dat 123352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/press.dat 553378 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/state2.restart 123409 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/temp.dat 123362 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/vdw_E.dat 123413 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/iter6/vol.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/lammps_nb_THFTHF.table 1088 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/pgo.sh 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/psub.sh 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/ 810786 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/#cg_pressures.xvg.1# 750785 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/#cg_volumes.xvg.1# 24181 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/#mapped_aa_rdf.xvg.1# 6645 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/#md.log.1# 11013 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/#mdout.mdp.1# 20516 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/#rerun.tpr.1# 6602 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/THF_RDF.out 2261 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/cg_THF.mdp 810771 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/rerun 6721116 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/rerun.tpr 170368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/rerun/traj.trr 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/ 985592 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/250u.lmp 378057 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/NAME 423 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/PVcurve.bw.0.25.dat 5535 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/bond_E.dat 2648 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/cgTHF.lmp 24259 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/data.cgTHF 123379 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/enthalpy.dat 123354 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/kinetic_E.dat 67691 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/log.cite 379917 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/log.lammps 19293392 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/outfile.xtc 123342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/potential_E.dat 123377 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/press.dat 553315 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/state2.restart 123382 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/temp.dat 123342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/vdw_E.dat 123347 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/250/pressure_matching/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/ 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/ 5179 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/FM.out 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/L.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/L_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/b_forces.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/mappedaa.trr 911 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/out.total.txt 529 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/par.txt 23 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/save.FF.dat 70867 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/save.G.dat 1425 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/save.L.dat 55282 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/save.M.dat 54150 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/save.M2.dat 7 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/MAPANDMATCH/save.Nf.dat 1453 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/cgTHF.lmp 810796 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/cg_pressures.xvg 750784 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/config.ini 581 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/config.ini0 14969 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/data.cgTHF 38838 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/g_cnt.dat 122229 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/iter0 38839 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/log.cite 122880 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/log.lammps 79 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/log.txt 38829 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/potential_E.dat 38866 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/press.dat 176824 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/psi.dat 542 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/state2.restart 38847 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/temp.dat 38829 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/vdw_E.dat 38837 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter0/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/Q.dat 48149 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/angle_E.dat 48149 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/config.ini 48149 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/data.cgTHF 121417 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/g_cnt.dat 371979 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/iter1 121429 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/log.cite 368640 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/log.txt 121426 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/potential_E.dat 121431 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/press.dat 544751 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/state2.restart 121427 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/temp.dat 121426 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/vdw_E.dat 121460 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter1/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/data.cgTHF 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/g_cnt.dat 379152 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/iter2 123339 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/log.cite 379938 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/log.txt 123371 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/potential_E.dat 123337 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/press.dat 553360 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/state2.restart 123374 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/temp.dat 123371 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/vdw_E.dat 123373 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter2/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/bond_E.dat 2672 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/data.cgTHF 123389 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/g_cnt.dat 379156 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/iter3 123345 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/log.cite 379941 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/log.txt 123360 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/potential_E.dat 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/press.dat 553582 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/state2.restart 123345 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/temp.dat 123360 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/vdw_E.dat 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter3/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/data.cgTHF 123393 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/g_cnt.dat 378954 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/iter4 123386 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/log.cite 379939 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/log.txt 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/potential_E.dat 123392 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/press.dat 553291 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/state2.restart 123385 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/temp.dat 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/vdw_E.dat 123381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter4/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/data.cgTHF 123383 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/g_cnt.dat 378955 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/iter5 123371 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/log.cite 379940 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/log.txt 123422 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/potential_E.dat 123401 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/press.dat 553381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/state2.restart 123370 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/temp.dat 123422 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/vdw_E.dat 123340 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter5/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/data.cgTHF 123401 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/g_cnt.dat 378952 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/iter6 123345 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/log.cite 379937 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/log.txt 123375 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/potential_E.dat 123372 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/press.dat 553275 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/state2.restart 123437 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/temp.dat 123375 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/vdw_E.dat 123349 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/iter6/vol.dat 67703 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/lammps_nb_THFTHF.table 1088 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/pgo.sh 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/psub.sh 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/ 810802 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/#cg_pressures.xvg.1# 750796 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/#cg_volumes.xvg.1# 24217 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/#mapped_aa_rdf.xvg.1# 6645 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/#md.log.1# 11013 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/#mdout.mdp.1# 20516 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/#rerun.tpr.1# 6593 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/THF_RDF.out 2261 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/cg_THF.mdp 810796 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/cg_pressures.xvg 750784 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/cg_volumes.xvg 67703 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/lammps_nb_THFTHF.table 24189 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 19:58 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/mappedaa.trr 12219589 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/md.log 12073 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/mdout.mdp 683 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/rdf.sh 8781 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/rerun 6721116 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/rerun.tpr 170369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/rerun/traj.trr 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/ 987729 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/285u.lmp 378052 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/NAME 420 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/PVcurve.bw.0.25.dat 5479 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/bond_E.dat 2648 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/cgTHF.lmp 24238 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/data.cgTHF 123430 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/enthalpy.dat 123318 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/kinetic_E.dat 67703 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/log.cite 379912 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/log.lammps 19289904 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/outfile.xtc 123349 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/potential_E.dat 123385 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/press.dat 553436 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/state2.restart 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/temp.dat 123349 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/vdw_E.dat 123351 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/285/pressure_matching/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/ 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/ 5179 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/FM.out 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/L.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/L_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/b_forces.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/b_struct.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 595 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/cg.btp 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/f_forces.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/f_struct.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/forcematch.sh 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/g.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/g_cnt.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/g_coeff.Pair_Interaction.total.THFTHF.dat 72 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/inp.txt 7930 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/log.txt 53040 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/mappedaa.gro 1663855460 01-26-2024 19:57 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/mappedaa.trr 911 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/out.total.txt 529 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/par.txt 23 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/save.FF.dat 70869 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/save.G.dat 1425 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/save.L.dat 55279 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/save.M.dat 54150 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/save.M2.dat 7 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/MAPANDMATCH/save.Nf.dat 1454 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/iter6 123358 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/log.cite 379934 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/log.txt 19293320 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/outfile.xtc 123358 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/potential_E.dat 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/press.dat 553306 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/psub.sh 675 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/rdf.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/state2.restart 123375 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/temp.dat 123358 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/vdw_E.dat 123391 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/get_rdf/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/ 51 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/Q.dat 2115 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/angle_E.dat 2115 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/bond_E.dat 2671 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/cgTHF.lmp 810800 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/cg_pressures.xvg 750789 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/config.ini 581 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/config.ini0 2115 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/data.cgTHF 5737 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/g_cnt.dat 20154 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/iter0 5734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/log.cite 16384 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/log.lammps 79 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/log.txt 5735 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/potential_E.dat 5731 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/press.dat 26662 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/psi.dat 542 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/state2.restart 5724 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/temp.dat 5735 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/vdw_E.dat 5736 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter0/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/bond_E.dat 2671 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/data.cgTHF 123340 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/iter1 123400 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/log.cite 379940 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/log.txt 123403 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/potential_E.dat 123322 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/press.dat 553131 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/state2.restart 123366 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/temp.dat 123403 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/vdw_E.dat 123393 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter1/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/bond_E.dat 2671 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/data.cgTHF 123356 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/g_cnt.dat 379156 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/iter2 123406 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/log.cite 379940 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/log.txt 123341 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/potential_E.dat 123345 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/press.dat 553271 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/state2.restart 123359 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/temp.dat 123341 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/vdw_E.dat 123392 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter2/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/bond_E.dat 2671 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/data.cgTHF 123386 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/g_cnt.dat 379153 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/iter3 123340 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/log.cite 379937 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/log.txt 123352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/potential_E.dat 123355 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/press.dat 553325 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/state2.restart 123347 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/temp.dat 123352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/vdw_E.dat 123353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter3/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/bond_E.dat 2671 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/data.cgTHF 123345 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/g_cnt.dat 378954 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/iter4 123386 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/log.cite 379937 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/log.txt 123386 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/potential_E.dat 123358 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/press.dat 553374 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/state2.restart 123302 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/temp.dat 123386 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/vdw_E.dat 123344 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter4/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/bond_E.dat 2671 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/data.cgTHF 123353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/g_cnt.dat 378955 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/iter5 123361 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/log.cite 379938 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/log.txt 123338 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/potential_E.dat 123337 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/press.dat 553265 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/state2.restart 123394 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/temp.dat 123338 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/vdw_E.dat 123378 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter5/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/bond_E.dat 2671 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/data.cgTHF 123383 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/g_cnt.dat 378952 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/iter6 123358 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/log.cite 379935 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/log.txt 123358 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/potential_E.dat 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/press.dat 553306 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/state2.restart 123375 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/temp.dat 123358 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/vdw_E.dat 123391 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/iter6/vol.dat 67704 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/lammps_nb_THFTHF.table 1088 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/pgo.sh 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/psub.sh 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/ 810801 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/#cg_pressures.xvg.1# 750784 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/#cg_volumes.xvg.1# 24184 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/#mapped_aa_rdf.xvg.1# 6645 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/#md.log.1# 11012 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/#mdout.mdp.1# 20516 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/#rerun.tpr.1# 6600 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/THF_RDF.out 2260 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/cg_THF.mdp 810800 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/cg_pressures.xvg 750789 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/cg_volumes.xvg 67704 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/lammps_nb_THFTHF.table 24175 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 19:58 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/mappedaa.trr 12219600 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/md.log 12072 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/mdout.mdp 683 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/rdf.sh 8796 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/rerun 6721116 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/rerun.edr 562 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/rerun.tpr 170358 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/rerun/traj.trr 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/ 991257 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/320u.lmp 378055 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/NAME 418 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/PVcurve.bw.0.25.dat 5529 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/THF_RDF.out 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/bond_E.dat 2646 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/cgTHF.lmp 24237 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/cgrdf.xvg 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/coul_E.dat 37343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/data.cgTHF 123420 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/enthalpy.dat 123370 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/kinetic_E.dat 67704 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/log.cite 379913 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/log.lammps 19290204 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/outfile.xtc 123391 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/potential_E.dat 123379 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/press.dat 553366 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/press_tens.dat 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/psub.sh 677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/rdf.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/state2.restart 123395 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/temp.dat 123391 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/vdw_E.dat 123395 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/320/pressure_matching/ucurve/vol.dat 688979 01-26-2024 19:38 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/91.gro 53040 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/cg_91.gro 591 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/config.ini 581 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/config.ini0 37343 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/data.cgTHF 490 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/go.sh 149789 01-26-2024 19:38 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/91/index.ndx 0 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/ 0 01-26-2024 19:40 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/ 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/ 5179 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/FM.out 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/L.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/L_coeff.Pair_Interaction.total.THFTHF.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/V4_TEST/ 6601 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/V4_TEST/aa.btp 1123375 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/V4_TEST/aa.dump 260052 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/V4_TEST/aa.tpr 521 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/V4_TEST/cgTHF.btp 20516 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/V4_TEST/cgTHFrdf.tpr 97376 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/V4_TEST/cgTHFrdf.tpr.dump 72 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/V4_TEST/inp.txt 529 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/V4_TEST/par.txt 20212 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/V4_TEST/rerun.tpr 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/b_forces.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/b_struct.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 595 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/cg.btp 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/f_forces.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/f_struct.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/forcematch.sh 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/g.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/g_cnt.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/g_coeff.Pair_Interaction.total.THFTHF.dat 72 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/inp.txt 7908 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/log.txt 53040 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/mappedaa.gro 1663855460 01-26-2024 19:57 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/mappedaa.trr 909 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/out.total.txt 529 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/par.txt 23 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/save.FF.dat 68212 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/save.G.dat 1425 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/save.L.dat 55283 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/MAPANDMATCH/save.M.dat 54150 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/Analysis/aa/aa_go.sh 764181 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/Analysis/aa/press.dat 750025 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/Analysis/aa/vol.dat 112 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/aa_go.sh 764936 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/aa_pressures.xvg 750772 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/aa_volumes.xvg 2665 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/cgTHF.lmp 591 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/config.ini 581 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/g_cnt.dat 378954 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/iter6 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/kinetic_E.dat 67725 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/log.cite 379943 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/log.txt 19303388 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/outfile.xtc 123399 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/potential_E.dat 123334 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/press.dat 553367 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/psub.sh 675 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/rdf.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/state2.restart 123353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/temp.dat 123399 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/vdw_E.dat 123388 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/get_rdf/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/ 50 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/bond_E.dat 2678 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/cgTHF.lmp 810802 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/cg_pressures.xvg 750802 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/config.ini 581 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/data.cgTHF 123390 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/g_cnt.dat 379155 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/iter0 123349 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/kinetic_E.dat 67725 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/log.cite 379946 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/log.lammps 79 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/log.txt 123379 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/potential_E.dat 123384 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/press.dat 553283 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/state2.restart 123357 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/temp.dat 123379 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/vdw_E.dat 123353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter0/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/bond_E.dat 2678 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/data.cgTHF 123376 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/g_cnt.dat 379155 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/iter1 123362 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/kinetic_E.dat 67725 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/log.cite 379946 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/log.txt 123371 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/potential_E.dat 123359 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/press.dat 553386 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/state2.restart 123380 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/temp.dat 123371 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/vdw_E.dat 123341 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter1/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/bond_E.dat 2677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/data.cgTHF 123392 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/g_cnt.dat 378955 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/iter2 123317 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/kinetic_E.dat 67725 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/log.cite 379944 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/log.txt 123382 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/potential_E.dat 123362 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/press.dat 553460 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/state2.restart 123360 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/temp.dat 123382 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/vdw_E.dat 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter2/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/bond_E.dat 2676 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/data.cgTHF 123346 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/g_cnt.dat 378958 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/iter3 123353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/kinetic_E.dat 67725 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/log.cite 379946 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/log.txt 123377 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/potential_E.dat 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/press.dat 553431 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/state2.restart 123385 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/temp.dat 123377 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/vdw_E.dat 123347 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter3/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/bond_E.dat 2676 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/data.cgTHF 123395 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/iter4 123381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/kinetic_E.dat 67725 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/log.cite 379945 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/log.txt 123434 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/potential_E.dat 123384 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/press.dat 553340 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/state2.restart 123388 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/temp.dat 123434 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/vdw_E.dat 123281 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter4/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/bond_E.dat 2678 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/data.cgTHF 123377 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/iter5 123360 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/kinetic_E.dat 67725 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/log.cite 379947 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/log.txt 123391 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/potential_E.dat 123357 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/press.dat 553553 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/state2.restart 123387 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/temp.dat 123391 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/vdw_E.dat 123388 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter5/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/bond_E.dat 2678 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/data.cgTHF 123378 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/g_cnt.dat 378958 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/iter6 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/kinetic_E.dat 67725 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/log.cite 379948 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/log.txt 123399 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/potential_E.dat 123334 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/press.dat 553367 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/state2.restart 123353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/temp.dat 123399 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/vdw_E.dat 123388 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/iter6/vol.dat 67725 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/lammps_nb_THFTHF.table 1088 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/pgo.sh 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/psub.sh 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/ 750783 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/#cg_pressures.xvg.1# 810794 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/#cg_pressures.xvg.2# 750804 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/#cg_volumes.xvg.1# 750790 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/#cg_volumes.xvg.2# 24540 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/#mapped_aa_rdf.xvg.1# 12061 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/#mdout.mdp.1# 12064 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/#mdout.mdp.2# 6593 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/THF_RDF.out 2261 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/cg_THF.mdp 810802 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/cg_pressures.xvg 750802 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/cg_volumes.xvg 67725 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/lammps_nb_THFTHF.table 24518 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 19:57 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/mappedaa.trr 12219587 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/md.log 12073 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/mdout.mdp 683 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/rdf.sh 8713 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/rerun 6721116 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/rerun.tpr 170414 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/rerun/traj.trr 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/ 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/Analysis/ 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/Analysis/6/ 399 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/Analysis/6/CG6distro.xvg 1311 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/Analysis/6/PVcurve.bw.0.1.dat 509 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/Analysis/6/PVcurve.bw.0.25.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/Analysis/aa/ 519 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/Analysis/aa/PVcurve.bw.0.25.dat 112 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/Analysis/aa/aa_go.sh 764181 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/Analysis/aa/press.dat 750025 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/Analysis/aa/vol.dat 112 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/aa_go.sh 764936 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/aa_pressures.xvg 750772 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/aa_volumes.xvg 2665 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/cgTHF.lmp 591 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/config.ini 581 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/config.ini0 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/data.cgTHF 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/Q.dat 5518 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/THF_RDF.out 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/bond_E.dat 2677 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/cgTHF.lmp 24566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/cg_rdf.xvg 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/coul_E.dat 37342 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/data.cgTHF 123378 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/g_cnt.dat 378954 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/iter6 123368 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/kinetic_E.dat 67725 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/log.cite 379943 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/log.txt 19303388 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/outfile.xtc 123399 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/potential_E.dat 123334 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/press.dat 553367 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/psub.sh 675 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/rdf.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/state2.restart 123353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/temp.dat 123399 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/vdw_E.dat 123388 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/get_rdf/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/ 50 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/bond_E.dat 2678 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/cgTHF.lmp 810802 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/cg_pressures.xvg 750802 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/cg_volumes.xvg 599 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/config.ini 581 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/config.ini0 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/coul_E.dat 37342 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/data.cgTHF 123390 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/g_cnt.dat 379155 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/iter0 123349 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/kinetic_E.dat 67725 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/log.cite 379946 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/log.lammps 79 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/log.txt 123379 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/potential_E.dat 123384 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/press.dat 553283 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/state2.restart 123357 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/temp.dat 123379 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/vdw_E.dat 123353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter0/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/bond_E.dat 2678 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/coul_E.dat 37342 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/data.cgTHF 123376 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/g_cnt.dat 379155 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/iter1 123362 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/kinetic_E.dat 67725 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/log.cite 379946 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/log.txt 123371 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/potential_E.dat 123359 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/press.dat 553386 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/state2.restart 123380 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/temp.dat 123371 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/vdw_E.dat 123341 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter1/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/bond_E.dat 2677 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/coul_E.dat 37342 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/data.cgTHF 123392 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/g_cnt.dat 378055 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/iter2 123317 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/kinetic_E.dat 67725 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/log.cite 379944 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/log.txt 123382 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/potential_E.dat 123362 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/press.dat 553460 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/state2.restart 123360 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/temp.dat 123382 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/vdw_E.dat 123368 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter2/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/bond_E.dat 2676 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/coul_E.dat 37342 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/data.cgTHF 123346 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/g_cnt.dat 378958 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/iter3 123353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/kinetic_E.dat 67725 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/log.cite 379946 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/log.txt 123377 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/potential_E.dat 123368 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/press.dat 553431 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/press_tens.dat 78 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/state2.restart 123385 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/temp.dat 123377 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/vdw_E.dat 123347 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter3/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/bond_E.dat 2676 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/coul_E.dat 37342 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/data.cgTHF 123395 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/g_cnt.dat 378957 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/iter4 123381 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/kinetic_E.dat 67725 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/log.cite 379945 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/log.txt 123434 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/potential_E.dat 123384 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/press.dat 553340 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/state2.restart 123388 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/temp.dat 123434 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/vdw_E.dat 123281 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter4/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/bond_E.dat 2678 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/coul_E.dat 37342 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/data.cgTHF 123377 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/g_cnt.dat 378957 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/iter5 123360 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/kinetic_E.dat 67725 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/log.cite 379947 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/log.txt 123391 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/potential_E.dat 123357 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/press.dat 553553 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/state2.restart 123387 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/temp.dat 123391 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/vdw_E.dat 123388 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter5/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/bond_E.dat 2678 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/coul_E.dat 37342 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/data.cgTHF 123378 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/g_cnt.dat 378958 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/iter6 123368 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/kinetic_E.dat 67725 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/log.cite 379948 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/log.txt 123399 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/potential_E.dat 123334 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/press.dat 553367 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/state2.restart 123353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/temp.dat 123399 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/vdw_E.dat 123388 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/iter6/vol.dat 67725 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/lammps_nb_THFTHF.table 1088 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/pgo.sh 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/psub.sh 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/ 750783 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/#cg_pressures.xvg.1# 810794 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/#cg_pressures.xvg.2# 750804 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/#cg_volumes.xvg.1# 750790 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/#cg_volumes.xvg.2# 24540 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/#mapped_aa_rdf.xvg.1# 12061 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/#mdout.mdp.1# 12064 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/#mdout.mdp.2# 6593 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/THF_RDF.out 2261 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/cg_THF.mdp 810802 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/cg_pressures.xvg 750802 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/cg_volumes.xvg 67725 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/lammps_nb_THFTHF.table 24518 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/mappedaa.trr 12219587 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/md.log 12073 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/mdout.mdp 683 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/rdf.sh 8713 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/rerun 6721116 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/rerun.edr 563 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/rerun.sh 20212 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/rerun.tpr 170414 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/table_THF_THF.xvg 833067768 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/rerun/traj.trr 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/v4/ 112 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/v4/aa_go.sh 764936 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/v4/aa_pressures.xvg 750772 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/250/pressure_matching/v4/v4/aa_volumes.xvg 0 01-26-2024 19:40 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/ 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/ 5179 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/FM.out 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/L.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/L_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/b_forces.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/b_struct.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 595 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/cg.btp 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/f_forces.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/f_struct.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/MAPANDMATCH/forcematch.sh 15109 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/data.cgTHF 123413 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/g_cnt.dat 378953 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/iter6 123349 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/kinetic_E.dat 67724 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/log.cite 379942 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/log.txt 19303464 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/outfile.xtc 123348 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/potential_E.dat 123417 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/press.dat 553188 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/get_rdf/psi.dat 538 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/data.cgTHF 123389 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/g_cnt.dat 379154 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/iter0 123340 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/kinetic_E.dat 67724 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/log.cite 379944 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/log.lammps 79 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/log.txt 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/potential_E.dat 123354 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/press.dat 553300 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/press_tens.dat 76 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/state2.restart 123390 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/temp.dat 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/vdw_E.dat 123382 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter0/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/bond_E.dat 2677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/data.cgTHF 123367 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/g_cnt.dat 379157 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/iter1 123376 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/kinetic_E.dat 67724 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/log.cite 379947 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/log.txt 123363 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/potential_E.dat 123401 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/press.dat 553357 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/state2.restart 123364 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/temp.dat 123363 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/vdw_E.dat 123345 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter1/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/bond_E.dat 2678 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/data.cgTHF 123392 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/iter2 123393 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/kinetic_E.dat 67724 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/log.cite 379947 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/log.txt 123350 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/potential_E.dat 123379 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/press.dat 553418 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/state2.restart 123372 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/temp.dat 123350 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/vdw_E.dat 123356 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter2/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/bond_E.dat 2678 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/data.cgTHF 123383 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/iter3 123339 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/kinetic_E.dat 67724 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/log.cite 379947 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/log.txt 123364 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/potential_E.dat 123375 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/press.dat 553174 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/state2.restart 123355 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/temp.dat 123364 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/vdw_E.dat 123410 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter3/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/bond_E.dat 2677 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/data.cgTHF 123368 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/iter4 123382 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/kinetic_E.dat 67724 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/log.cite 379946 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/log.txt 123350 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/potential_E.dat 123354 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/press.dat 553591 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/state2.restart 123385 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/temp.dat 123350 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/vdw_E.dat 123414 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter4/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/bond_E.dat 2678 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/data.cgTHF 123405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/g_cnt.dat 378955 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/iter5 123424 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/kinetic_E.dat 67724 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/log.cite 379945 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/log.txt 123331 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/potential_E.dat 123349 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/press.dat 553393 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/state2.restart 123364 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/temp.dat 123331 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/vdw_E.dat 123355 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter5/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/bond_E.dat 2678 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/data.cgTHF 123413 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/g_cnt.dat 378954 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/iter6 123349 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/kinetic_E.dat 67724 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/log.cite 379944 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/log.txt 123348 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/potential_E.dat 123417 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/press.dat 553188 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/state2.restart 123410 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/temp.dat 123348 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/vdw_E.dat 123348 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/iter6/vol.dat 67724 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/lammps_nb_THFTHF.table 1088 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/pgo.sh 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/psub.sh 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/ 810811 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/#cg_pressures.xvg.1# 750778 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/#cg_pressures.xvg.2# 810803 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/#cg_pressures.xvg.3# 750802 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/#cg_volumes.xvg.1# 750791 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/#cg_volumes.xvg.2# 24509 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/#mapped_aa_rdf.xvg.1# 6801 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/THF_RDF.out 2261 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/cg_THF.mdp 810799 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/cg_pressures.xvg 750766 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/cg_volumes.xvg 67724 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/lammps_nb_THFTHF.table 24497 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 19:58 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/mappedaa.trr 12219593 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/md.log 12073 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/mdout.mdp 683 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/rdf.sh 9015 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/rerun 6721116 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/rerun.tpr 170409 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/285/pressure_matching/rerun/traj.trr 0 01-26-2024 19:40 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/ 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/ 5274 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/FM.out 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/L.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/L_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/b_forces.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/b_struct.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 595 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/cg.btp 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/f_forces.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/f_struct.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/forcematch.sh 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/g.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/g_cnt.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/g_coeff.Pair_Interaction.total.THFTHF.dat 72 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/inp.txt 7930 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/log.txt 53040 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/mappedaa.gro 1663855460 01-26-2024 19:57 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/mappedaa.trr 911 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/out.total.txt 529 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/par.txt 23 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.FF.dat 70867 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.G.dat 1425 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.L.dat 55309 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.M.dat 54150 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.M2.dat 7 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.Nf.dat 1453 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.b_forces.dat 1470 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.b_struct.dat 55783 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.d2M.dat 1622 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.d2b.dat 1470 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.g.dat 1594 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.g_cnt.dat 1594 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/save.rescale.dat 2058 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/summarize_input.txt 170406 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/MAPANDMATCH/table_THF_THF.xvg 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/aa/ 780584 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/aa/aa_pressures.xvg 750784 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/aa/aa_volumes.xvg --------- ------- 4233592219 322 files ===================================================== Content of ZIP archive thf-data-156.zip ===================================================== 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/get_rdf/g_cnt.dat 378953 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/get_rdf/iter6 123377 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/get_rdf/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/get_rdf/log.cite 379940 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/get_rdf/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/get_rdf/log.txt 19306948 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/get_rdf/outfile.xtc 123398 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/cg_pressures.xvg 750781 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/config.ini 581 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/data.cgTHF 123399 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/g_cnt.dat 379156 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/iter0 123397 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/log.cite 379945 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/log.lammps 79 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/log.txt 123355 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/potential_E.dat 123372 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/press.dat 553330 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/state2.restart 123334 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/temp.dat 123355 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/vdw_E.dat 123401 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter0/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/bond_E.dat 2676 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/data.cgTHF 123366 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/g_cnt.dat 379158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/iter1 123401 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/log.cite 379947 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/log.txt 123342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/potential_E.dat 123397 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/press.dat 553329 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/state2.restart 123376 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/temp.dat 123342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/vdw_E.dat 123346 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter1/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/bond_E.dat 2676 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/data.cgTHF 123378 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/g_cnt.dat 378959 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/iter2 123355 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/log.cite 379947 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/log.txt 123397 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/potential_E.dat 123367 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/press.dat 553408 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/state2.restart 123381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/temp.dat 123397 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/vdw_E.dat 123366 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter2/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/bond_E.dat 2676 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/data.cgTHF 123411 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/g_cnt.dat 378958 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/iter3 123332 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/log.cite 379946 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/log.txt 123406 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/potential_E.dat 123389 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/press.dat 553449 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/state2.restart 123384 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/temp.dat 123406 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/vdw_E.dat 123371 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter3/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/bond_E.dat 2676 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/data.cgTHF 123319 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/g_cnt.dat 378959 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/iter4 123393 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/log.cite 379947 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/log.txt 123381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/potential_E.dat 123380 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/press.dat 553274 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/state2.restart 123367 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/temp.dat 123381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/vdw_E.dat 123376 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter4/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/bond_E.dat 2676 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/data.cgTHF 123389 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/g_cnt.dat 378959 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/iter5 123361 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/log.cite 379947 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/log.txt 123380 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/potential_E.dat 123395 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/press.dat 553381 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/state2.restart 123352 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/temp.dat 123380 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/vdw_E.dat 123375 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter5/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/bond_E.dat 2676 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/coul_E.dat 37342 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/data.cgTHF 123357 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/g_cnt.dat 378957 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/iter6 123377 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/kinetic_E.dat 67731 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/log.cite 379945 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/log.txt 123398 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/potential_E.dat 123419 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/press.dat 553349 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/press_tens.dat 78 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/state2.restart 123336 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/temp.dat 123398 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/vdw_E.dat 123358 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/iter6/vol.dat 67731 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/lammps_nb_THFTHF.table 1088 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/pgo.sh 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/psub.sh 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/ 810803 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/#cg_pressures.xvg.1# 750797 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/#cg_volumes.xvg.1# 24581 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/#mapped_aa_rdf.xvg.1# 6645 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/#md.log.1# 6597 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/THF_RDF.out 2261 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/cg_THF.mdp 810804 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/cg_pressures.xvg 750781 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/cg_volumes.xvg 67731 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/lammps_nb_THFTHF.table 24595 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 19:58 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/mappedaa.trr 12219589 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/md.log 12073 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/mdout.mdp 683 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/rdf.sh 8824 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/rerun 6721116 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/rerun.edr 563 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/rerun.sh 20212 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/rerun.tpr 170406 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/table_THF_THF.xvg 833067768 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/320/pressure_matching/rerun/traj.trr 688979 01-26-2024 19:38 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/95.gro 37342 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/data.cgTHF 561 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/go.sh 149789 01-26-2024 19:38 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/index.ndx 53040 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/95/mappedaa.gro 0 01-26-2024 19:39 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/ 0 01-26-2024 19:40 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/ 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/ 5179 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/FM.out 14819 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/L.Pair_Interaction.total.THFTHF.dat 1508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/L_coeff.Pair_Interaction.total.THFTHF.dat 14819 01-26-2024 19:59 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7908 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/log.txt 53040 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/mappedaa.gro 1663855460 01-26-2024 19:58 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/mappedaa.trr 911 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/out.total.txt 529 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/par.txt 23 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/save.FF.dat 68222 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/save.G.dat 1425 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/save.L.dat 55315 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/MAPANDMATCH/save.M.dat 54150 01-26-2024 19:59 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/Analysis/ 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/Analysis/6/ 403 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/Analysis/6/CG6distro.xvg 1483 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/Analysis/6/PVcurve.bw.0.1.dat 593 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/Analysis/6/PVcurve.bw.0.25.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/Analysis/aa/ 688 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/Analysis/aa/PVcurve.bw.0.25.dat 761567 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/Analysis/aa/press.dat 750025 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/Analysis/aa/vol.dat 762311 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/aa_pressures.xvg 750749 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/aa_volumes.xvg 2665 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/cgTHF.lmp 591 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/config.ini 581 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/config.ini0 37353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/data.cgTHF 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/Q.dat 5491 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/THF_RDF.out 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/bond_E.dat 2671 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/cgTHF.lmp 24877 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/cg_rdf.xvg 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/coul_E.dat 37353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/data.cgTHF 123343 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/g_cnt.dat 378952 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/iter6 123383 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/log.cite 379935 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/log.txt 19319888 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/outfile.xtc 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/potential_E.dat 123371 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/press.dat 553353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/psub.sh 675 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/rdf.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/state2.restart 123416 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/temp.dat 123369 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/vdw_E.dat 123359 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/get_rdf/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/ 50 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/bond_E.dat 2673 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/cgTHF.lmp 780789 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/cg_pressures.xvg 750767 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/cg_volumes.xvg 599 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/config.ini 581 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/config.ini0 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/coul_E.dat 37353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/data.cgTHF 123408 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/g_cnt.dat 379150 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/iter0 123373 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/log.cite 379936 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/log.lammps 79 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/log.txt 123361 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/potential_E.dat 123407 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/press.dat 553508 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/press_tens.dat 76 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/state2.restart 123387 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/temp.dat 123361 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/vdw_E.dat 123360 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter0/vol.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/bond_E.dat 2672 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/coul_E.dat 37353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/data.cgTHF 123385 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/g_cnt.dat 379153 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/iter1 123400 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/log.cite 379938 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/log.txt 123361 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/potential_E.dat 123350 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/press.dat 553484 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/state2.restart 123370 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/temp.dat 123361 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/vdw_E.dat 123421 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter1/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/ 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/AA_g_cnt.dat 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/CG_Q.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/CG_g_cnt.dat 42 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/Q.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/angle_E.dat 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/bond_E.dat 2672 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/cgTHF.lmp 598 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/config.ini 48929 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/coul_E.dat 37353 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/data.cgTHF 123378 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/enthalpy.dat 18 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/g_cnt.dat 378956 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/iter2 123347 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/kinetic_E.dat 67734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/lammps_nb_THFTHF.table 405 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/log.cite 379940 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/log.lammps 158 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/log.txt 123367 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/potential_E.dat 123392 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/press.dat 553219 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/press_tens.dat 77 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/psi.dat 538 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/psub.sh 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/state1.restart 105566 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/state2.restart 123331 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/temp.dat 123367 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/vdw_E.dat 123423 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter2/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/bond_E.dat 2672 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/coul_E.dat 37353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/data.cgTHF 123369 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/g_cnt.dat 378955 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/iter3 123406 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/kinetic_E.dat 67734 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/log.cite 379939 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/log.txt 123351 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/potential_E.dat 123392 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/press.dat 553419 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/state2.restart 123395 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/temp.dat 123351 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/vdw_E.dat 123372 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter3/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/bond_E.dat 2672 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/coul_E.dat 37353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/data.cgTHF 123393 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/g_cnt.dat 378956 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/iter4 123354 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/kinetic_E.dat 67734 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/log.cite 379940 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/log.txt 123389 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/potential_E.dat 123354 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/press.dat 553436 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/state2.restart 123374 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/temp.dat 123389 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/vdw_E.dat 123353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter4/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/bond_E.dat 2672 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/coul_E.dat 37353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/data.cgTHF 123378 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/g_cnt.dat 378956 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/iter5 123399 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/kinetic_E.dat 67734 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/log.cite 379940 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/log.txt 123366 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/potential_E.dat 123324 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/press.dat 553359 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/state2.restart 123372 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/temp.dat 123366 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/vdw_E.dat 123391 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter5/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/bond_E.dat 2672 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/coul_E.dat 37353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/data.cgTHF 123343 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/g_cnt.dat 378953 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/iter6 123383 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/kinetic_E.dat 67734 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/log.cite 379937 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/log.txt 123369 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/potential_E.dat 123371 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/press.dat 553353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/state2.restart 123416 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/temp.dat 123369 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/vdw_E.dat 123359 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/iter6/vol.dat 67734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/lammps_nb_THFTHF.table 1088 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/pgo.sh 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/psub.sh 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/ 780800 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/#cg_pressures.xvg.1# 750766 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/#cg_volumes.xvg.1# 12048 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/#mdout.mdp.1# 12064 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/#mdout.mdp.2# 6571 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/THF_RDF.out 2261 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/cg_THF.mdp 780789 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/cg_pressures.xvg 750767 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/cg_volumes.xvg 67734 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/lammps_nb_THFTHF.table 24811 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/mappedaa.trr 12219591 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/md.log 12073 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/mdout.mdp 683 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/rdf.sh 8770 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/rerun 6721116 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/rerun.edr 562 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/rerun.sh 20212 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/rerun.tpr 170427 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/table_THF_THF.xvg 833067768 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/rerun/traj.trr 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/ 966275 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/285u.lmp 378218 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/NAME 572 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/PVcurve.bw.0.25.dat 6436 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/THF_RDF.out 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/bond_E.dat 2652 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/cgTHF.lmp 24872 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/cgrdf.xvg 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/coul_E.dat 37353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/data.cgTHF 123378 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/enthalpy.dat 123372 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/kinetic_E.dat 67734 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/log.cite 379915 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/log.lammps 19326084 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/outfile.xtc 123384 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/potential_E.dat 123374 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/press.dat 553388 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/press_tens.dat 537 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/psub.sh 677 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/rdf.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/state2.restart 123365 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/temp.dat 123384 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/vdw_E.dat 123419 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/285/pressure_matching/ucurve/vol.dat 0 01-26-2024 19:40 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/ 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/ 5179 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/FM.out 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/L.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/L_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/b_forces.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/b_struct.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 595 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/cg.btp 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/f_forces.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/f_struct.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 734 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/forcematch.sh 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/g.Pair_Interaction.total.THFTHF.dat 15109 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/g_cnt.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/g_coeff.Pair_Interaction.total.THFTHF.dat 72 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/inp.txt 7930 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/log.txt 53040 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/mappedaa.gro 1663855460 01-26-2024 19:58 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/mappedaa.trr 911 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/out.total.txt 529 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/par.txt 23 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.FF.dat 70877 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.G.dat 1425 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.L.dat 55287 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.M.dat 54150 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.M2.dat 7 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.Nf.dat 1451 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.b_forces.dat 1468 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.b_struct.dat 55729 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.d2M.dat 1619 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.d2b.dat 1470 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.g.dat 1592 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.g_cnt.dat 1592 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/save.rescale.dat 2058 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/summarize_input.txt 170418 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/MAPANDMATCH/table_THF_THF.xvg 0 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/aa/ 773449 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/aa/aa_pressures.xvg 750774 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/aa/aa_volumes.xvg 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/aa/extra/ 31286868 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/aa/extra/#longener.edr.1# 2061353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/aa/extra/aa_pressures.xvg 2000787 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/aa/extra/aa_volumes.xvg 50881768 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/aa/extra/fixed.edr 51099916 01-26-2024 20:08 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter1/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter1/log.txt 123348 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter1/potential_E.dat 123346 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter1/press.dat 553310 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter1/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter1/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter1/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter1/state1.restart 105566 01-26-2024 20:08 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thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/iter2 123416 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/kinetic_E.dat 67729 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/log.cite 379939 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/log.txt 123316 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/potential_E.dat 123367 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/press.dat 553326 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/state2.restart 123403 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/temp.dat 123316 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/vdw_E.dat 123385 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter2/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/bond_E.dat 2672 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/coul_E.dat 37353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/data.cgTHF 123365 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/g_cnt.dat 378954 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/iter3 123379 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/kinetic_E.dat 67729 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/log.cite 379938 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/log.txt 123416 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/potential_E.dat 123405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/press.dat 553365 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/state2.restart 123384 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/temp.dat 123416 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/vdw_E.dat 123343 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter3/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/bond_E.dat 2672 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/coul_E.dat 37353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/data.cgTHF 123395 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/g_cnt.dat 378954 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/iter4 123365 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/kinetic_E.dat 67729 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/log.cite 379938 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/log.txt 123366 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/potential_E.dat 123402 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/press.dat 553298 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/state2.restart 123358 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/temp.dat 123366 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/vdw_E.dat 123353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter4/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/bond_E.dat 2672 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/coul_E.dat 37353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/data.cgTHF 123354 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/g_cnt.dat 378954 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/iter5 123339 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/kinetic_E.dat 67729 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/log.cite 379938 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/log.txt 123375 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/potential_E.dat 123400 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/press.dat 553401 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/state2.restart 123345 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/temp.dat 123375 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/vdw_E.dat 123400 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter5/vol.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/Q.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/bond_E.dat 2672 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/cgTHF.lmp 598 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/config.ini 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/coul_E.dat 1331 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/current_lammps_EOS.xvg 402 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/current_lammps_dis.xvg 37353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/data.cgTHF 123341 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/enthalpy.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/g_cnt.dat 378951 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/iter6 123382 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/kinetic_E.dat 67729 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/log.cite 379935 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/log.lammps 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/log.txt 123398 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/potential_E.dat 123391 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/press.dat 553230 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/press_tens.dat 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/psi.dat 538 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/psub.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/state2.restart 123339 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/temp.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/test_bocs_v4/ 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/test_bocs_v4/AA_g_cnt.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/test_bocs_v4/CG_Q.dat 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/test_bocs_v4/CG_g_cnt.dat 42 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/test_bocs_v4/Q.dat 631 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/test_bocs_v4/config.ini 18 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/test_bocs_v4/g_cnt.dat 158 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/test_bocs_v4/log.txt 77 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/test_bocs_v4/psi.dat 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/ 2175 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/2018_EOS.xvg 404 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/2018_distro.xvg 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/bond_E.dat 2672 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/cgTHF.lmp 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/coul_E.dat 37353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/data.cgTHF 123367 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/enthalpy.dat 378506 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/iter6 123365 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/kinetic_E.dat 67729 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/log.cite 379936 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/log.lammps 123339 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/potential_E.dat 123395 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/press.dat 553344 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/press_tens.dat 752 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/psub.sh 105567 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/state1.restart 105567 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/state2.restart 123425 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/temp.dat 123339 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/vdw_E.dat 123409 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/testing_lamps_2018/vol.dat 123398 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/vdw_E.dat 123362 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/iter6/vol.dat 67729 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/lammps_nb_THFTHF.table 1088 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/pgo.sh 537 01-26-2024 19:59 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/psub.sh 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/ 780770 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/#cg_pressures.xvg.1# 750796 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/#cg_volumes.xvg.1# 12064 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/#mdout.mdp.1# 6532 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/THF_RDF.out 2261 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/cg_THF.mdp 780798 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/cg_pressures.xvg 750784 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/cg_volumes.xvg 67729 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/lammps_nb_THFTHF.table 24887 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/mapped_aa_rdf.xvg 1663855460 01-26-2024 20:07 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/mappedaa.trr 12219594 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/md.log 12073 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/mdout.mdp 683 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/rdf.sh 8741 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/rerun 6721116 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/rerun.edr 562 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/rerun.sh 20212 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/rerun.tpr 170418 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/table_THF_THF.xvg 833067768 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/rerun/traj.trr 0 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/ 24869 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/#cgrdf.xvg.1# 964597 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/320u.lmp 378952 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/NAME 607 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/PVcurve.bw.0.25.dat 6356 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/THF_RDF.out 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/angle_E.dat 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/bond_E.dat 2652 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/cgTHF.lmp 24867 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/cgrdf.xvg 48929 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/coul_E.dat 37353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/data.cgTHF 123376 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/enthalpy.dat 123409 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/kinetic_E.dat 67729 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/lammps_nb_THFTHF.table 405 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/log.cite 379916 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/log.lammps 19322456 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/outfile.xtc 123366 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/potential_E.dat 123352 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/press.dat 553362 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/press_tens.dat 537 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/psub.sh 677 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/rdf.sh 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/state1.restart 105566 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/state2.restart 123353 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/temp.dat 123366 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/vdw_E.dat 123370 01-26-2024 20:08 thf-data/aa_sims_cg_opt/NPT/off_diagnol_statepoints/99/320/pressure_matching/ucurve/vol.dat 688975 01-26-2024 19:38 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12-06-2022 11:22 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part1/state_prev.cpt 187322424 12-06-2022 11:24 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part1/traj.trr 0 12-07-2022 08:49 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part2/ 260052 12-06-2022 11:27 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part2/NVT.tpr 3332 12-07-2022 06:20 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part2/NVT_103_320.o40243057 688949 12-07-2022 06:20 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part2/confout.part0002.gro 3345096 12-07-2022 06:20 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part2/ener.part0002.edr 488 12-06-2022 11:28 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part2/gromacs.sh 4013604 12-07-2022 06:20 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part2/md.part0002.log 241476 12-07-2022 06:20 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part2/state.cpt 241476 12-07-2022 06:20 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part2/state_prev.cpt 2330204664 12-07-2022 06:20 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/part2/traj.part0002.trr 126727 08-22-2023 21:26 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/pressures.xvg 2581416 08-22-2023 21:26 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/prod_ener.edr 3613120 08-22-2023 21:26 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/whole_ener.edr --------- ------- 5126736256 376 files ===================================================== Content of ZIP archive thf-data-192.zip ===================================================== Archive: thf-data-192.zip Length Date Time Name --------- ---------- ----- ---- 2517167544 12-07-2022 08:50 thf-data/aa_sims_cg_opt/NVT/103.57cnm/eq_production/whole_traj.trr 0 01-08-2024 13:54 thf-data/aa_sims_cg_opt/NVT/103.57cnm/mapandmatch/ 14819 12-07-2022 08:56 thf-data/aa_sims_cg_opt/NVT/103.57cnm/mapandmatch/f_forces.Pair_Interaction.total.THFTHF.dat 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thf-data/aa_sims_cg_opt/NVT/103.57cnm/mapandmatch/forcematchresults/save.g_cnt.dat 1589 12-07-2022 08:56 thf-data/aa_sims_cg_opt/NVT/103.57cnm/mapandmatch/forcematchresults/save.rescale.dat 2058 12-07-2022 08:55 thf-data/aa_sims_cg_opt/NVT/103.57cnm/mapandmatch/forcematchresults/summarize_input.txt 72 12-07-2022 08:54 thf-data/aa_sims_cg_opt/NVT/103.57cnm/mapandmatch/inp.txt 7907 12-07-2022 08:56 thf-data/aa_sims_cg_opt/NVT/103.57cnm/mapandmatch/log.txt 277355460 12-07-2022 08:55 thf-data/aa_sims_cg_opt/NVT/103.57cnm/mapandmatch/mappedaa.trr 911 12-07-2022 08:56 thf-data/aa_sims_cg_opt/NVT/103.57cnm/mapandmatch/out.total.txt 529 12-07-2022 08:55 thf-data/aa_sims_cg_opt/NVT/103.57cnm/mapandmatch/par.txt 170443 12-07-2022 10:54 thf-data/aa_sims_cg_opt/NVT/103.57cnm/mapandmatch/table_THF_THF.xvg 0 01-08-2024 13:06 thf-data/aa_sims_cg_opt/NVT/90.771cnm/ 0 01-08-2024 13:04 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/ 0 01-08-2024 13:04 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/ 260052 11-30-2022 10:32 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/NVT.tpr 0 01-08-2024 13:12 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part1/ 260052 11-23-2022 12:07 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part1/NVT.tpr 688949 11-24-2022 03:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part1/confout.gro 2581120 11-24-2022 03:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part1/ener.edr 241444 11-24-2022 03:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part1/state.cpt 241444 11-24-2022 03:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part1/state_prev.cpt 0 01-08-2024 13:12 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part2/ 260052 11-29-2022 20:01 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part2/NVT.tpr 688949 11-30-2022 06:25 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part2/confout.gro 1033120 11-30-2022 06:25 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part2/ener.edr 241444 11-30-2022 06:25 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part2/state.cpt 241444 11-30-2022 06:25 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/part2/state_prev.cpt 128141 08-22-2023 19:49 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/pressures.xvg 2581416 08-22-2023 19:47 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/prod_ener.edr 3613120 08-22-2023 19:46 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/whole_ener.edr 2517167544 11-30-2022 10:30 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/eq_production/whole_traj.trr 0 01-08-2024 13:50 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/ 14819 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/f_forces.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/f_struct.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 0 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/ 14819 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/L.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/L_coeff.Pair_Interaction.total.THFTHF.dat 14819 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/b_forces.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/b_struct.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 14819 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/g.Pair_Interaction.total.THFTHF.dat 14819 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/g_coeff.Pair_Interaction.total.THFTHF.dat 23 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.FF.dat 68198 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.G.dat 1425 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.L.dat 55271 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.M.dat 54150 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.M2.dat 6 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.Nf.dat 1451 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.b_forces.dat 1469 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.b_struct.dat 55727 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.d2M.dat 1616 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.d2b.dat 1467 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.g.dat 1595 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.g_cnt.dat 1595 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/save.rescale.dat 2058 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/forcematchresults/summarize_input.txt 72 11-30-2022 10:33 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/inp.txt 7907 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/log.txt 53040 11-30-2022 10:33 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/mappedaa.gro --------- ------- 5325712918 90 files ===================================================== Content of ZIP archive thf-data-193.zip ===================================================== Archive: thf-data-193.zip Length Date Time Name --------- ---------- ----- ---- 277355460 11-30-2022 10:33 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/mappedaa.trr 11007 11-30-2022 10:33 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/mdout.mdp 909 11-30-2022 10:34 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/out.total.txt 529 11-30-2022 10:33 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/par.txt 170376 12-04-2022 15:17 thf-data/aa_sims_cg_opt/NVT/90.771cnm/215/mapandmatch/tables_THF_THF.xvg 0 01-08-2024 13:05 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/ 0 01-08-2024 13:05 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/ 260052 12-04-2022 14:18 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/NVT.tpr 0 01-08-2024 13:14 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part1_one/ 260052 11-26-2022 17:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part1_one/NVT.tpr 369028 11-29-2022 04:03 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part1_one/ener.part0001.edr 241476 11-28-2022 15:37 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part1_one/state.cpt 241476 11-28-2022 15:37 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part1_one/state_prev.cpt 0 01-08-2024 13:15 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part2/ 260052 11-28-2022 19:03 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part2/NVT.tpr 688949 11-30-2022 07:52 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part2/confout.part0002.gro 2222500 11-30-2022 07:52 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part2/ener.part0002.edr 241476 11-30-2022 07:52 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part2/state.cpt 241476 11-30-2022 07:52 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part2/state_prev.cpt 0 01-08-2024 13:16 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part3/ 260052 11-30-2022 08:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part3/NVT.tpr 688949 11-30-2022 14:32 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part3/confout.gro 688949 11-30-2022 08:19 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part3/confout.part0002.gro 1033120 11-30-2022 14:32 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part3/ener.edr 241444 11-30-2022 14:32 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part3/state.cpt 241444 11-30-2022 14:32 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/part3/state_prev.cpt 129919 08-22-2023 19:53 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/pressures.xvg 2580900 08-22-2023 19:52 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/prod_ener.edr 3622408 08-22-2023 19:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/whole_ener.edr 2523279792 12-04-2022 14:17 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/eq_prod/whole_traj.trr 0 01-08-2024 13:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/ 15109 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/f_forces.Pair_Interaction.total.THFTHF.dat 1537 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/f_struct.Pair_Interaction.total.THFTHF.dat 1537 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 0 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/ 15109 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/L.Pair_Interaction.total.THFTHF.dat 1537 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/L_coeff.Pair_Interaction.total.THFTHF.dat 15109 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/b_forces.Pair_Interaction.total.THFTHF.dat 1537 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/b_struct.Pair_Interaction.total.THFTHF.dat 1537 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 15109 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/g.Pair_Interaction.total.THFTHF.dat 15109 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.THFTHF.dat 1537 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1537 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/g_coeff.Pair_Interaction.total.THFTHF.dat 23 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.FF.dat 70857 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.G.dat 1425 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.L.dat 55272 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.M.dat 54150 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.M2.dat 6 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.Nf.dat 1453 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.b_forces.dat 1471 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.b_struct.dat 55731 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.d2M.dat 1619 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.d2b.dat 1468 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.g.dat 1595 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.g_cnt.dat 1595 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/save.rescale.dat 2058 12-04-2022 14:20 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/forcematchresults/summarize_input.txt 72 12-04-2022 14:19 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/inp.txt 7929 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/log.txt 53040 12-04-2022 14:19 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/mappedaa.gro 277355460 12-04-2022 14:19 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/mappedaa.trr 911 12-04-2022 14:21 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/out.total.txt 529 12-04-2022 14:19 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/par.txt 170367 12-04-2022 15:18 thf-data/aa_sims_cg_opt/NVT/90.771cnm/250/mapandmatch/tables_THF_THF.xvg 0 01-08-2024 13:07 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/ 0 01-08-2024 13:06 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/ 260052 11-30-2022 10:46 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/NVT.tpr 0 01-08-2024 13:17 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part1/ 260052 11-23-2022 12:08 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part1/NVT.tpr 688949 11-24-2022 03:35 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part1/confout.gro 2581120 11-24-2022 03:35 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part1/ener.edr 241444 11-24-2022 03:35 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part1/state.cpt 241444 11-24-2022 03:35 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part1/state_prev.cpt 0 01-08-2024 13:18 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part2/ 260052 11-29-2022 20:02 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part2/NVT.tpr 688949 11-30-2022 02:14 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part2/confout.gro 1033120 11-30-2022 02:14 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part2/ener.edr 241444 11-30-2022 02:14 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part2/state.cpt 241444 11-30-2022 02:14 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/part2/state_prev.cpt 130026 08-22-2023 20:10 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/pressures.xvg 2581416 08-22-2023 20:09 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/prod_ener.edr 3613120 08-22-2023 20:09 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/whole_ener.edr --------- ------- 3106347980 85 files ===================================================== Content of ZIP archive thf-data-194.zip ===================================================== Archive: thf-data-194.zip Length Date Time Name --------- ---------- ----- ---- 2517167544 11-30-2022 10:48 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/eq_prod/whole_traj.trr 0 01-08-2024 13:52 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/ 15109 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/f_forces.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/f_struct.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 0 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/ 15109 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/L.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/L_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/b_forces.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/b_struct.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/g.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/g_coeff.Pair_Interaction.total.THFTHF.dat 23 11-30-2022 10:51 thf-data/aa_sims_cg_opt/NVT/90.771cnm/285/mapandmatch/forcematchresults/save.FF.dat 70867 11-30-2022 10:51 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11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/forcematchresults/b_struct.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/forcematchresults/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/forcematchresults/g.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/forcematchresults/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/forcematchresults/g_coeff.Pair_Interaction.total.THFTHF.dat 23 11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/forcematchresults/save.FF.dat 70871 11-30-2022 11:00 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thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/forcematchresults/save.g.dat 1595 11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/forcematchresults/save.g_cnt.dat 1595 11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/forcematchresults/save.rescale.dat 2058 11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/forcematchresults/summarize_input.txt 72 11-30-2022 10:59 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/inp.txt 7929 11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/log.txt 53040 11-30-2022 10:59 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/mappedaa.gro --------- ------- 5325536648 90 files ===================================================== Content of ZIP archive thf-data-195.zip ===================================================== Archive: thf-data-195.zip Length Date Time Name --------- ---------- ----- ---- 277355460 11-30-2022 10:59 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/mappedaa.trr 911 11-30-2022 11:00 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/out.total.txt 529 11-30-2022 10:59 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/par.txt 170350 11-30-2022 13:59 thf-data/aa_sims_cg_opt/NVT/90.771cnm/320/mapandmatch/table_THF_THF.xvg 688979 11-23-2022 11:17 thf-data/aa_sims_cg_opt/NVT/90.771cnm/NVT_start_90.771.gro 0 01-08-2024 13:26 thf-data/aa_sims_cg_opt/NVT/94.625cnm/ 0 01-08-2024 13:31 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/ 0 01-08-2024 13:31 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/eq_prod/ 260052 11-30-2022 10:13 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/eq_prod/NVT.tpr 0 01-08-2024 13:31 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/eq_prod/part1/ 260052 11-23-2022 12:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/eq_prod/part1/NVT.tpr 688949 11-24-2022 04:34 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/eq_prod/part1/confout.gro 2581120 11-24-2022 04:34 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thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/eq_prod/whole_ener.edr 2517167544 11-30-2022 10:11 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/eq_prod/whole_traj.trr 0 01-08-2024 13:34 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/ 14819 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/f_forces.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 14819 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/f_struct.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 978 11-30-2022 10:14 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematch.sh 0 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/ 14819 11-30-2022 10:15 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thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/g_coeff.Pair_Interaction.total.THFTHF.dat 23 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.FF.dat 68214 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.G.dat 1425 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.L.dat 55278 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.M.dat 54150 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.M2.dat 6 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.Nf.dat 1451 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.b_forces.dat 1469 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.b_struct.dat 55730 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.d2M.dat 1616 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.d2b.dat 1470 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.g.dat 1594 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.g_cnt.dat 1594 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/save.rescale.dat 2058 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/forcematchresults/summarize_input.txt 7907 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/log.txt 53040 11-30-2022 10:14 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/mappedaa.gro 277355460 11-30-2022 10:14 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/mappedaa.trr 909 11-30-2022 10:15 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/out.total.txt 170414 12-04-2022 15:20 thf-data/aa_sims_cg_opt/NVT/94.625cnm/250/mapandmatch/tables_THF_THF.xvg 0 01-08-2024 13:35 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/ 0 01-08-2024 13:35 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/ 260052 11-30-2022 10:36 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/NVT.tpr 0 01-08-2024 13:35 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part1/ 260052 11-23-2022 12:16 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part1/NVT.tpr 688949 11-24-2022 04:23 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part1/confout.gro 2581120 11-24-2022 04:23 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part1/ener.edr 241444 11-24-2022 04:23 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part1/state.cpt 241444 11-24-2022 04:23 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part1/state_prev.cpt 0 01-08-2024 13:36 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part2/ 260052 11-29-2022 19:59 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part2/NVT.tpr 688949 11-30-2022 02:03 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part2/confout.gro 1033120 11-30-2022 02:03 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part2/ener.edr 241444 11-30-2022 02:03 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part2/state.cpt 240828 11-30-2022 02:03 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/part2/state_prev.cpt 129545 08-22-2023 20:52 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/pressures.xvg 2581416 08-22-2023 20:52 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/prod_ener.edr 3613120 08-22-2023 20:52 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/whole_ener.edr --------- ------- 3099454397 79 files ===================================================== Content of ZIP archive thf-data-196.zip ===================================================== Archive: thf-data-196.zip Length Date Time Name --------- ---------- ----- ---- 2517167544 11-30-2022 10:22 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/eq_prod/whole_traj.trr 0 01-08-2024 13:37 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/ 15109 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/f_forces.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/f_struct.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 0 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/ 15109 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/L.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/L_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/b_forces.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/b_struct.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/g.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/g_coeff.Pair_Interaction.total.THFTHF.dat 23 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/save.FF.dat 70873 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/save.G.dat 1425 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/save.L.dat 55285 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/save.M.dat 54150 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/forcematchresults/save.M2.dat 6 11-30-2022 10:40 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thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/log.txt 53040 11-30-2022 10:37 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/mappedaa.gro 277355460 11-30-2022 10:37 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/mappedaa.trr 911 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/out.total.txt 170405 12-04-2022 15:21 thf-data/aa_sims_cg_opt/NVT/94.625cnm/285/mapandmatch/tables_THF_THF.xvg 0 01-08-2024 13:43 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/ 0 01-08-2024 13:43 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/ 260052 11-30-2022 10:39 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/NVT.tpr 0 01-08-2024 13:39 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part1_one/ 260052 11-26-2022 17:24 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part1_one/NVT.tpr 405148 11-28-2022 16:50 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part1_one/ener.part0001.edr 241476 11-28-2022 16:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part1_one/state.cpt 241476 11-28-2022 16:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part1_one/state_prev.cpt 0 01-08-2024 13:41 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part2/ 260052 11-28-2022 19:05 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part2/NVT.tpr 688949 11-29-2022 15:44 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part2/confout.part0002.gro 2178420 11-29-2022 15:44 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part2/ener.part0002.edr 2620382 11-29-2022 15:44 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part2/md.part0002.log 241476 11-29-2022 15:44 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part2/state.cpt 241476 11-29-2022 15:44 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part2/state_prev.cpt 0 01-08-2024 13:41 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part3/ 260052 11-29-2022 19:19 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part3/NVT.tpr 688949 11-29-2022 19:22 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part3/confout.part0003.gro 1120 11-29-2022 19:22 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part3/ener.part0003.edr 241476 11-29-2022 19:19 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part3/state.cpt 0 01-08-2024 13:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part4_post5/ 260052 11-29-2022 20:10 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part4_post5/NVT.tpr 688949 11-30-2022 07:49 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part4_post5/confout.gro 688949 11-29-2022 20:07 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part4_post5/confout.part0003.gro 1033120 11-30-2022 07:49 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part4_post5/ener.edr 241444 11-30-2022 07:49 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part4_post5/state.cpt 241444 11-30-2022 07:49 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/part4_post5/state_prev.cpt 130003 08-22-2023 20:56 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/pressures.xvg 2581416 08-22-2023 20:55 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/prod_ener.edr 3614152 08-22-2023 20:54 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/whole_ener.edr 2517886632 11-30-2022 10:27 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/eq_prod/whole_traj.trr 0 01-08-2024 13:55 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/ 15109 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/f_forces.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/f_struct.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 0 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/ 15109 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/L.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/L_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/b_forces.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/b_struct.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/g.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/g_coeff.Pair_Interaction.total.THFTHF.dat 23 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/save.FF.dat 70869 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/save.G.dat 1425 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/save.L.dat 55281 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/save.M.dat 54150 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/forcematchresults/save.M2.dat 6 11-30-2022 10:42 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thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/inp.txt 7929 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/log.txt 659 11-30-2022 10:40 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/map.THF.top 53040 11-30-2022 10:41 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/mappedaa.gro --------- ------- 5331744244 101 files ===================================================== Content of ZIP archive thf-data-197.zip ===================================================== Archive: thf-data-197.zip Length Date Time Name --------- ---------- ----- ---- 277355460 11-30-2022 10:41 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/mappedaa.trr 911 11-30-2022 10:42 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/out.total.txt 529 11-30-2022 10:41 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/par.txt 170403 11-30-2022 13:58 thf-data/aa_sims_cg_opt/NVT/94.625cnm/320/mapandmatch/table_THF_THF.xvg 688979 11-23-2022 11:33 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thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:18 thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/forcematchresults/g_cnt_coeff.Pair_Interaction.total.THFTHF.dat 1508 11-30-2022 10:18 thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/forcematchresults/g_coeff.Pair_Interaction.total.THFTHF.dat 23 11-30-2022 10:18 thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/forcematchresults/save.FF.dat 68216 11-30-2022 10:18 thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/forcematchresults/save.G.dat 1425 11-30-2022 10:18 thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/forcematchresults/save.L.dat 55282 11-30-2022 10:18 thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/forcematchresults/save.M.dat 54150 11-30-2022 10:18 thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/forcematchresults/save.M2.dat 6 11-30-2022 10:18 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thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/log.txt 53040 11-30-2022 10:17 thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/mappedaa.gro --------- ------- 5331495347 74 files ===================================================== Content of ZIP archive thf-data-198.zip ===================================================== Archive: thf-data-198.zip Length Date Time Name --------- ---------- ----- ---- 277355460 11-30-2022 10:17 thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/mappedaa.trr 911 11-30-2022 10:18 thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/out.total.txt 170427 12-04-2022 15:23 thf-data/aa_sims_cg_opt/NVT/98.831cnm/285/mapandmatch/tables_THF_THF.xvg 0 01-08-2024 13:46 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/ 0 01-08-2024 13:46 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/ 260052 11-30-2022 10:18 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/NVT.tpr 0 01-08-2024 13:48 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/part1/ 688949 11-24-2022 03:15 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/part1/confout.gro 2581120 11-24-2022 03:15 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/part1/ener.edr 241444 11-24-2022 03:15 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/part1/state.cpt 241444 11-24-2022 03:15 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/part1/state_prev.cpt 0 01-08-2024 13:47 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/part2/ 688949 11-30-2022 01:49 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/part2/confout.gro 1033120 11-30-2022 01:49 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/part2/ener.edr 241444 11-30-2022 01:49 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/part2/state.cpt 241444 11-30-2022 01:49 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/part2/state_prev.cpt 128832 08-22-2023 21:04 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/pressures.xvg 2581416 08-22-2023 21:04 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/prod_ener.edr 3613120 08-22-2023 21:03 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/whole_ener.edr 2517167544 11-30-2022 10:07 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/eq_prod/whole_traj.trr 0 01-08-2024 13:49 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/ 15109 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/f_forces.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/f_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/f_struct.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/f_struct_coeff.Pair_Interaction.total.THFTHF.dat 0 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/ 15109 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/L.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/L_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/b_forces.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/b_forces_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/b_struct.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/b_struct_coeff.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/g.Pair_Interaction.total.THFTHF.dat 15109 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.THFTHF.dat 1537 11-30-2022 10:21 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1469 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/save.b_struct.dat 55729 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/save.d2M.dat 1619 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/save.d2b.dat 1470 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/save.g.dat 1592 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/save.g_cnt.dat 1592 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/save.rescale.dat 2058 11-30-2022 10:20 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/forcematchresults/summarize_input.txt 7929 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/log.txt 53040 11-30-2022 10:19 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/mappedaa.gro 277355460 11-30-2022 10:19 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/mappedaa.trr 911 11-30-2022 10:21 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/out.total.txt 170423 11-30-2022 13:57 thf-data/aa_sims_cg_opt/NVT/98.831cnm/320/mapandmatch/table_THF_THF.xvg 688975 11-23-2022 11:37 thf-data/aa_sims_cg_opt/NVT/98.831cnm/98.831_starting.gro 0 01-26-2024 19:38 thf-data/extra_rdf_calc_for_SI/ 0 01-26-2024 19:38 thf-data/extra_rdf_calc_for_SI/91/ 0 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/ 18 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/AA_g_cnt.dat 0 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/CG_Q.dat 18 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/CG_g_cnt.dat 42 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/Q.dat 5494 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/THF_RDF.out 48929 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/angle_E.dat 48929 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/bond_E.dat 2676 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thf-data/extra_rdf_calc_for_SI/91/215/outfile.xtc 123372 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/potential_E.dat 123375 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/press.dat 553279 01-26-2024 19:38 thf-data/extra_rdf_calc_for_SI/91/215/press_tens.dat 78 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/psi.dat 538 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/psub.sh 675 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/rdf.sh 105566 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/state1.restart 105566 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/state2.restart 123367 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/temp.dat 123372 01-26-2024 19:39 thf-data/extra_rdf_calc_for_SI/91/215/vdw_E.dat 123415 01-26-2024 19:38 thf-data/extra_rdf_calc_for_SI/91/215/vol.dat 0 01-26-2024 19:38 thf-data/input_file_examples/ 0 01-26-2024 19:39 thf-data/input_file_examples/aa_simulations/ 661 01-26-2024 19:39 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