===================================================== Content of ZIP archive dioxane-data-001.zip ===================================================== Archive: dioxane-data-001.zip Length Date Time Name --------- ---------- ----- ---- 0 01-27-2024 16:33 dioxane-data/ 0 01-27-2024 14:29 dioxane-data/DD_Models_Ref_from_V96/ 0 01-26-2024 19:38 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/ 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/CG_g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/NAME 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/bond_E.dat 2657 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/cgDOX.lmp 24716 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/cg_rdf.xvg 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/data.cgDOX 123411 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/g_cnt.dat 378755 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/iter6.o39680561 123375 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/kinetic_E.dat 67777 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/log.cite 379927 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/log.txt 17286404 01-26-2024 19:40 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/outfile.xtc 123368 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/potential_E.dat 125954 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/press.dat 553257 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/press_tens.dat 77 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/psi.dat 541 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/psub.sh 249307 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/pv.dat 171445 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/pvv.dat 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/state2.restart 3040742 01-26-2024 19:40 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/tabulated_300.xvg 3122844 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/tabulated_300.xvg_forces 123385 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/temp.dat 123368 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/vdw_E.dat 123323 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/300K_rdf_calc/iter6/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/ 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/ 0 01-26-2024 19:38 dioxane-data/DD_Models_Ref_from_V96/320K/98/Analysis/ 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/Analysis/0/ 399 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/Analysis/0/CG0distro.xvg 1006 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/Analysis/0/PVcurve.bw.0.1.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/Analysis/6/ 403 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/Analysis/6/CG6distro.xvg 1788 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/Analysis/6/PVcurve.bw.0.1.dat 766829 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/aa_pressures.xvg 750797 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/aa_volumes.xvg 2652 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/cgDOX.lmp 591 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/config.ini 580 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/config.ini0 33325 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/data.cgDOX 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/bond_E.dat 2663 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/cgDOX.lmp 24892 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/cg_rdf.xvg 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/data.cgDOX 123348 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/iter6 123395 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/log.cite 379936 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/log.txt 17291056 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/outfile.xtc 123323 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/potential_E.dat 125924 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/press.dat 553212 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/state2.restart 123412 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/temp.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/test_gromacs/ 1511572 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/test_gromacs/md.log 17291056 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/test_gromacs/outfile.xtc 1121116 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/test_gromacs/rerun.edr 18236 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/test_gromacs/rerun.tpr 170419 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/test_gromacs/table_DOX_DOX.xvg 123924780 01-26-2024 19:40 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/test_gromacs/traj.trr 123323 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/vdw_E.dat 123394 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/get_rdf/vol.dat 508 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/gocheck.sh 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/ 52 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/bond_E.dat 2668 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/cgDOX.lmp 780816 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/cg_pressures.xvg 750830 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/cg_volumes.xvg 599 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/config.ini 580 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/config.ini0 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/data.cgDOX 123461 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/iter0 123355 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/log.cite 379938 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/log.lammps 79 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/log.txt 17280648 01-26-2024 19:40 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/outfile.xtc 123414 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/potential_E.dat 125877 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/press.dat 553094 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/state2.restart 123382 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/temp.dat 123414 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/vdw_E.dat 123435 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter0/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/bond_E.dat 2664 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/data.cgDOX 123399 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/g_cnt.dat 378059 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/iter1 123407 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/log.cite 379935 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/log.txt 123354 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/potential_E.dat 125962 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/press.dat 553455 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/state2.restart 123368 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/temp.dat 123354 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/vdw_E.dat 123382 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter1/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/bond_E.dat 2664 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/data.cgDOX 123384 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/g_cnt.dat 378060 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/iter2 123350 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/log.cite 379936 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/log.txt 123387 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/potential_E.dat 125950 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/press.dat 553532 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/state2.restart 123404 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/temp.dat 123387 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/vdw_E.dat 123431 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter2/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/bond_E.dat 2664 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/data.cgDOX 123338 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/g_cnt.dat 378056 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/iter3 123345 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/log.cite 379932 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/log.txt 123340 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/potential_E.dat 125924 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/press.dat 553446 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/state2.restart 123390 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/temp.dat 123340 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/vdw_E.dat 123374 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter3/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/bond_E.dat 2664 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/data.cgDOX 123372 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/g_cnt.dat 378062 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/iter4 123326 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/log.cite 379938 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/log.txt 123388 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/potential_E.dat 125898 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/press.dat 553216 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/state2.restart 123390 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/temp.dat 123388 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/vdw_E.dat 123344 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter4/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/bond_E.dat 2664 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/data.cgDOX 123410 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/g_cnt.dat 378060 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/iter5 123342 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/log.cite 379936 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/log.txt 123376 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/potential_E.dat 125934 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/press.dat 553211 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/state2.restart 123339 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/temp.dat 123376 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/vdw_E.dat 123359 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter5/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/bond_E.dat 2664 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/data.cgDOX 123348 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/g_cnt.dat 378060 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/iter6 123395 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/log.cite 379936 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/log.txt 123323 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/potential_E.dat 125924 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/press.dat 553212 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/state2.restart 123412 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/temp.dat 123323 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/vdw_E.dat 123394 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/iter6/vol.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/lammps_nb_DOXDOX.table 0 01-26-2024 19:38 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/ 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/ 52 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/bond_E.dat 2678 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/cgDOX.lmp 780816 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/cg_pressures.xvg 750830 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/cg_volumes.xvg 599 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/config.ini 580 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/config.ini0 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/coul_E.dat 33330 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/data.cgDOX 123365 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/iter0 123394 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/log.cite 379951 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/log.lammps 79 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/log.txt 17280648 01-26-2024 19:40 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/outfile.xtc 123386 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/potential_E.dat 123401 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/press.dat 553292 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/state2.restart 123361 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/temp.dat 123386 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/vdw_E.dat 123378 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter0/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/bond_E.dat 2673 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/coul_E.dat 33330 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/data.cgDOX 123370 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/iter1 123367 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/log.cite 379943 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/log.txt 17285644 01-26-2024 19:40 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/outfile.xtc 123380 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/potential_E.dat 123388 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/press.dat 553336 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/state2.restart 123375 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/temp.dat 123380 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/vdw_E.dat 123361 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter1/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/bond_E.dat 2674 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/coul_E.dat 33330 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/data.cgDOX 123420 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/iter2 123407 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/log.cite 379944 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/log.txt 17286316 01-26-2024 19:40 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/outfile.xtc 123376 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/potential_E.dat 123365 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/press.dat 553464 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/state2.restart 123400 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/temp.dat 123376 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/vdw_E.dat 123336 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter2/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/bond_E.dat 2674 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/coul_E.dat 33330 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/data.cgDOX 123378 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/g_cnt.dat 378059 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/iter3 123375 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/log.cite 379945 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/log.txt 17281972 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/outfile.xtc 123362 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/potential_E.dat 123388 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/press.dat 553337 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/state2.restart 123363 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/temp.dat 123362 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/vdw_E.dat 123345 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter3/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/bond_E.dat 2674 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/coul_E.dat 33330 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/data.cgDOX 123406 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/iter4 123382 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/log.cite 379947 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/log.txt 17288100 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/outfile.xtc 123368 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/potential_E.dat 123377 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/press.dat 553285 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/state2.restart 123372 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/temp.dat 123368 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/vdw_E.dat 123380 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter4/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/bond_E.dat 2674 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/coul_E.dat 33330 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/data.cgDOX 123347 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/iter5 123345 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/log.cite 379944 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/log.txt 17284928 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/outfile.xtc 123383 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/potential_E.dat 123343 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/press.dat 553281 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/state2.restart 123367 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/temp.dat 123383 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/vdw_E.dat 123378 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter5/vol.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/ 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/bond_E.dat 2674 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/coul_E.dat 33330 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/data.cgDOX 123336 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/g_cnt.dat 378059 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/iter6 123371 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/log.cite 379945 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/log.txt 17280320 01-26-2024 19:40 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/outfile.xtc 123366 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/potential_E.dat 123385 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/press.dat 553197 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/psub.sh 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/state2.restart 123357 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/temp.dat 123366 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/vdw_E.dat 123416 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/messup/iter6/vol.dat 322 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/noteaboutthisfolder.txt 1088 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/pgo.sh 541 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/psub.sh 0 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/ 11012 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/#mdout.mdp.1# 7835 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/98_rerun 780816 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/CG_press.xvg 750830 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/CG_vol.xvg 481 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/cg_DOX.top 2236 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/cg_DOX_NPT.mdp 47310 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/confout.gro 1484569484 01-26-2024 19:40 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/mappedaa.trr 12230393 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/md.log 12072 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/mdout.mdp 6721116 01-26-2024 19:40 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/rerun.edr 564 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/rerun.sh 18236 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/rerun.tpr 170428 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/table_DOX_DOX.xvg 743424780 01-26-2024 19:40 dioxane-data/DD_Models_Ref_from_V96/320K/98/rerun/traj.trr 2652 01-26-2024 19:41 dioxane-data/DD_Models_Ref_from_V96/320K/cgDOX.lmp 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/aa/ 2220 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/aa/PVcurve.bw.0.1.dat 414 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/aa/aa_voldis.xvg 766228 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/aa/press.dat 750025 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/aa/vol.dat 25099 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/aa/whole_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/check_w_universal/ 414 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/check_w_universal/CGcheck_w_universaldistro.xvg 1983 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/check_w_universal/PVcurve.bw.0.1.dat 25105 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/check_w_universal/universal_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/iter6/ 414 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/iter6/CG6distro.xvg 2199 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/iter6/PVcurve.bw.0.1.dat 25131 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/iter6/rdf_opt.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/optimized_pair_potential_calc_rdf/ 415 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/optimized_pair_potential_calc_rdf/CGoptimized_pair_potential_calc_rdfdistro.xvg 2326 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/optimized_pair_potential_calc_rdf/PVcurve.bw.0.1.dat 25131 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/Analysis/optimized_pair_potential_calc_rdf/rdf_opt.xvg 767019 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/aa_pressures.xvg 750813 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/aa_volumes.xvg 2650 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/cgDOX.lmp 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/ 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/bond_E.dat 2657 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/cgDOX.lmp 378135 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/clusterout.out 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/coul_E.dat 33341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/data.cgDOX 123363 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/enthalpy.dat 123431 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/log.cite 379929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/log.lammps 17305744 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/outfile.xtc 768340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/padded_Quadratic_fit.xvg 123358 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/potential_E.dat 125911 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/press.dat 553221 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/press_tens.dat 548 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/state2.restart 123394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/temp.dat 123358 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/vdw_E.dat 123405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/check_w_universal/vol.dat 591 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/config.ini0 33341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/data.cgDOX 504 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/ 52 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/bond_E.dat 2662 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/cgDOX.lmp 780856 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/cg_pressures.xvg 750848 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/cg_volumes.xvg 599 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/config.ini 580 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/config.ini0 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/coul_E.dat 33341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/data.cgDOX 123383 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/g_cnt.dat 378032 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/iter0 123318 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/log.cite 379932 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/log.lammps 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/log.txt 123335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/potential_E.dat 125840 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/press.dat 553362 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/state2.restart 123351 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/temp.dat 123335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/vdw_E.dat 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter0/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/bond_E.dat 2663 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/coul_E.dat 33341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/data.cgDOX 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/g_cnt.dat 378032 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/iter1 123358 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/log.cite 379933 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/log.txt 123365 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/potential_E.dat 126034 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/press.dat 553365 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/state2.restart 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/temp.dat 123365 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/vdw_E.dat 123332 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter1/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/bond_E.dat 2663 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/coul_E.dat 33341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/data.cgDOX 123373 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/g_cnt.dat 378029 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/iter2 123365 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/log.cite 379930 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/log.txt 123407 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/potential_E.dat 125944 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/press.dat 553274 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/state2.restart 123386 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/temp.dat 123407 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/vdw_E.dat 123422 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter2/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/bond_E.dat 2663 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/coul_E.dat 33341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/data.cgDOX 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/g_cnt.dat 378029 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/iter3 123333 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/log.cite 379930 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/log.txt 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/potential_E.dat 125958 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/press.dat 553379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/state2.restart 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/temp.dat 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/vdw_E.dat 123361 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter3/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/bond_E.dat 2663 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/coul_E.dat 33341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/data.cgDOX 123324 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/g_cnt.dat 378032 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/iter4 123409 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/log.cite 379933 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/log.txt 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/potential_E.dat 125862 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/press.dat 553416 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/state2.restart 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/temp.dat 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/vdw_E.dat 123392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter4/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/bond_E.dat 2663 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/coul_E.dat 33341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/data.cgDOX 123399 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/g_cnt.dat 378030 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/iter5 123329 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/log.cite 379931 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/log.txt 123405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/potential_E.dat 125902 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/press.dat 553447 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/state2.restart 123366 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/temp.dat 123405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/vdw_E.dat 123346 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter5/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/bond_E.dat 2662 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/coul_E.dat 33341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/data.cgDOX 123352 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/g_cnt.dat 378035 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/iter6 123384 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/log.cite 379935 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/log.txt 17304824 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/outfile.xtc 123432 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/potential_E.dat 126027 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/press.dat 553449 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/state2.restart 123373 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/temp.dat 123432 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/vdw_E.dat 123425 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/iter6/vol.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/lammps_nb_DOXDOX.table 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/CG_g_cnt.dat 378033 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/NAME 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/bond_E.dat 2657 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/coul_E.dat 33341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/data.cgDOX 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/g_cnt.dat 378751 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/iter6.o39756822 123410 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/kinetic_E.dat 67808 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/log.cite 379928 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/log.txt 17308024 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/outfile.xtc 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/potential_E.dat 125962 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/press.dat 553480 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/psi.dat 541 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/state2.restart 123375 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/temp.dat 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/vdw_E.dat 123373 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/optimized_pair_potential_calc_rdf/vol.dat 1088 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/pgo.sh 541 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/101/psub.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/aa/ 1236 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/aa/PVcurve.bw.0.1.dat 399 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/aa/aa_voldistro.xvg 24828 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/aa/whole_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/check_w_universal_Fv/ 399 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/check_w_universal_Fv/CGcheck_w_universal_Fvdistro.xvg 1390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/check_w_universal_Fv/PVcurve.bw.0.1.dat 24796 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/check_w_universal_Fv/universal_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/iter6/ 399 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/iter6/CG6distro.xvg 1589 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/iter6/PVcurve.bw.0.1.dat 24776 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/Analysis/iter6/rdf_opt.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/ 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/bond_E.dat 2663 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/coul_E.dat 33333 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/data.cgDOX 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/enthalpy.dat 123413 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/log.cite 379934 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/log.lammps 17281284 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/outfile.xtc 768340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/padded_Quadratic_fit.xvg 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/potential_E.dat 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/press.dat 553236 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/press_tens.dat 540 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/psub.sh 378134 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/q340u96 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/state2.restart 123342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/temp.dat 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/vdw_E.dat 123366 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/check_w_universal_Fv/vol.dat 504 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/CG_g_cnt.dat 378032 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/NAME 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/bond_E.dat 2669 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/coul_E.dat 33333 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/data.cgDOX 123374 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/g_cnt.dat 378754 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/iter6.o40779098 123359 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/log.cite 379939 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/log.txt 17282636 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/outfile.xtc 123387 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/potential_E.dat 123406 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/press.dat 553273 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/psi.dat 541 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/state2.restart 123373 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/temp.dat 123387 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/vdw_E.dat 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/iter6/vol.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/lammps_nb_DOXDOX.table 108 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/noteaboutthisfolder.txt 541 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/96_which_is_the_original/psub.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/aa/ 1786 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/aa/PVcurve.bw.0.1.dat 404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/aa/aavoldis.xvg 24852 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/aa/prod_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/check_w_universal/ 402 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/check_w_universal/CGcheck_w_universaldistro.xvg 1645 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/check_w_universal/PVcurve.bw.0.1.dat 24834 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/check_w_universal/universal_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/iter6/ 404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/iter6/CG6distro.xvg 1627 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/iter6/PVcurve.bw.0.1.dat 24808 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/Analysis/iter6/rdf_opt.xvg 763266 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/aa_pressures.xvg 750811 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/aa_volumes.xvg 2662 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/cgDOX.lmp 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/ 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/bond_E.dat 2662 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/cgDOX.lmp 378133 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/clusterout.out 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/coul_E.dat 33330 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/data.cgDOX 123364 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/enthalpy.dat 123392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/log.cite 379933 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/log.lammps 17295084 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/outfile.xtc 768340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/padded_Quadratic_fit.xvg 123357 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/potential_E.dat 123367 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/press.dat 553299 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/press_tens.dat 547 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/state2.restart 123378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/temp.dat 123357 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/vdw_E.dat 123413 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/check_w_universal/vol.dat 591 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/config.ini 580 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/config.ini0 33330 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/data.cgDOX 504 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/ 52 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/bond_E.dat 2670 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/cgDOX.lmp 780827 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/cg_pressures.xvg 750819 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/cg_volumes.xvg 599 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/config.ini 580 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/config.ini0 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/coul_E.dat 33330 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/data.cgDOX 123339 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/g_cnt.dat 378035 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/iter0 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/log.cite 379943 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/log.lammps 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/log.txt 123344 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/potential_E.dat 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/press.dat 553328 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/press_tens.dat 75 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/state2.restart 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/temp.dat 123344 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/vdw_E.dat 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter0/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/bond_E.dat 2674 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/coul_E.dat 33330 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/data.cgDOX 123394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/g_cnt.dat 378033 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/iter1 123373 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/log.cite 379945 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/log.txt 123398 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/potential_E.dat 123375 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/press.dat 553332 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/state2.restart 123370 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/temp.dat 123398 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/vdw_E.dat 123388 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter1/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/bond_E.dat 2675 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/coul_E.dat 33330 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/data.cgDOX 123366 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/g_cnt.dat 378034 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/iter2 123378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/log.cite 379947 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/log.txt 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/potential_E.dat 123416 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/press.dat 553348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/state2.restart 123394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/temp.dat 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/vdw_E.dat 123345 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter2/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/bond_E.dat 2674 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/coul_E.dat 33330 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/data.cgDOX 123376 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/g_cnt.dat 378035 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/iter3 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/log.cite 379947 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/log.txt 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/potential_E.dat 123374 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/press.dat 553246 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/state2.restart 123411 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/temp.dat 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/vdw_E.dat 123372 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter3/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/bond_E.dat 2675 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/coul_E.dat 33330 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/data.cgDOX 123372 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/g_cnt.dat 378032 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/iter4 123363 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/log.cite 379945 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/log.txt 123419 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/potential_E.dat 123338 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/press.dat 553490 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/state2.restart 123378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/temp.dat 123419 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/vdw_E.dat 123351 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter4/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/bond_E.dat 2675 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/coul_E.dat 33330 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/data.cgDOX 123351 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/g_cnt.dat 378035 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/iter5 123407 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/log.cite 379948 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/log.txt 123359 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/potential_E.dat 123410 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/press.dat 553587 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/state2.restart 123363 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/temp.dat 123359 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/vdw_E.dat 123366 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter5/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/bond_E.dat 2674 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/coul_E.dat 33330 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/data.cgDOX 123402 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/g_cnt.dat 378035 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/iter6 123408 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/kinetic_E.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/log.cite 379947 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/log.txt 17297444 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/outfile.xtc 123361 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/potential_E.dat 123383 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/press.dat 553286 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/state2.restart 123401 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/temp.dat 123361 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/vdw_E.dat 123414 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/iter6/vol.dat 67783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/lammps_nb_DOXDOX.table 1088 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/pgo.sh 541 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/340K/98/psub.sh 33341 01-26-2024 19:43 dioxane-data/DD_Models_Ref_from_V96/340K/data.cgDOX 520 01-26-2024 19:43 dioxane-data/DD_Models_Ref_from_V96/340K/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/aa/ 2125 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/aa/PVcurve.bw.0.1.dat 415 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/aa/aavoldis.xvg 25049 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/aa/prod_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/check_w_universal/ 414 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/check_w_universal/CGcheck_w_universaldistro.xvg 1845 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/check_w_universal/PVcurve.bw.0.1.dat 25078 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/check_w_universal/universal_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/iter6/ 415 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/iter6/CG6distro.xvg 1992 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/iter6/PVcurve.bw.0.1.dat 25062 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/Analysis/iter6/rdf_opt.xvg 763306 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/aa_pressures.xvg 750844 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/aa_volumes.xvg 2658 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/cgDOX.lmp 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/ 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/bond_E.dat 2669 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/cgDOX.lmp 378130 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/cluster.out 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/coul_E.dat 33340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/data.cgDOX 123364 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/enthalpy.dat 123352 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/log.cite 379937 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/log.lammps 17306896 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/outfile.xtc 769965 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/padded_Quadratic_correction.xvg 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/potential_E.dat 123395 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/press.dat 553361 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/press_tens.dat 545 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/state2.restart 123352 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/temp.dat 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/vdw_E.dat 123382 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/check_w_universal/vol.dat 591 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/config.ini 580 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/config.ini0 33340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/data.cgDOX 504 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/ 50 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/bond_E.dat 2665 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/cgDOX.lmp 780864 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/cg_pressures.xvg 750843 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/cg_volumes.xvg 599 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/config.ini 580 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/config.ini0 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/coul_E.dat 33340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/data.cgDOX 123365 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/g_cnt.dat 378034 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/iter0 123370 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/log.cite 379937 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/log.lammps 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/log.txt 123378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/potential_E.dat 123398 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/press.dat 553281 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/psi.dat 543 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/state2.restart 123421 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/temp.dat 123378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/vdw_E.dat 123404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter0/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/bond_E.dat 2672 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/coul_E.dat 33340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/data.cgDOX 123333 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/g_cnt.dat 378032 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/iter1 123320 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/log.cite 379942 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/log.txt 123376 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/potential_E.dat 123354 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/press.dat 553256 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/psi.dat 543 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/state2.restart 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/temp.dat 123376 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/vdw_E.dat 123364 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter1/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/coul_E.dat 33340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/data.cgDOX 123404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/g_cnt.dat 378035 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/iter2 123386 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/log.cite 379944 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/log.txt 123355 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/potential_E.dat 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/press.dat 553424 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/psi.dat 543 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/state2.restart 123355 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/temp.dat 123355 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/vdw_E.dat 123343 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter2/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/coul_E.dat 33340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/data.cgDOX 123412 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/g_cnt.dat 378032 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/iter3 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/log.cite 379941 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/log.txt 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/potential_E.dat 123415 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/press.dat 553459 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/psi.dat 543 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/state2.restart 123337 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/temp.dat 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/vdw_E.dat 123400 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter3/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/coul_E.dat 33340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/data.cgDOX 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/g_cnt.dat 378035 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/iter4 123351 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/log.cite 379944 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/log.txt 123343 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/potential_E.dat 123402 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/press.dat 553175 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/psi.dat 543 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/state2.restart 123391 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/temp.dat 123343 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/vdw_E.dat 123384 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter4/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/coul_E.dat 33340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/data.cgDOX 123427 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/g_cnt.dat 378032 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/iter5 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/log.cite 379941 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/log.txt 123367 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/potential_E.dat 123388 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/press.dat 553188 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/psi.dat 543 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/state2.restart 123372 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/temp.dat 123367 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/vdw_E.dat 123364 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter5/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/bond_E.dat 2670 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/coul_E.dat 33340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/data.cgDOX 123358 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/g_cnt.dat 378035 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/iter6 123376 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/log.cite 379943 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/log.txt 17310092 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/outfile.xtc 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/potential_E.dat 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/press.dat 553372 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/psi.dat 543 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/state2.restart 123362 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/temp.dat 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/vdw_E.dat 123391 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/iter6/vol.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/lammps_nb_DOXDOX.table 1088 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/pgo.sh 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/101/psub.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/aa/ 2413 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/aa/PVcurve.bw.0.1.dat 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/aa/aa_voldis.xvg 766247 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/aa/press.dat 750025 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/aa/vol.dat 25280 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/aa/whole_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/check_w_universal/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/check_w_universal/CGcheck_w_universaldistro.xvg 2132 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/check_w_universal/PVcurve.bw.0.1.dat 25284 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/check_w_universal/universal_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/iter6/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/iter6/CG6distro.xvg 2040 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/iter6/PVcurve.bw.0.1.dat 25250 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/Analysis/iter6/rdf_opt.xvg 767017 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/aa_pressures.xvg 750818 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/aa_volumes.xvg 2651 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/cgDOX.lmp 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/ 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/bond_E.dat 2663 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/cgDOX.lmp 378134 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/clusterout.out 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/coul_E.dat 33349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/data.cgDOX 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/enthalpy.dat 123359 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/log.cite 379935 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/log.lammps 17320564 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/outfile.xtc 769965 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/padded_Quadratic_correction.xvg 123395 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/potential_E.dat 126014 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/press.dat 553378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/press_tens.dat 548 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/state2.restart 123365 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/temp.dat 123395 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/vdw_E.dat 123373 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/check_w_universal/vol.dat 591 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/config.ini0 33349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/data.cgDOX 504 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/ 50 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/bond_E.dat 2660 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/cgDOX.lmp 780819 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/cg_pressures.xvg 750811 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/cg_volumes.xvg 599 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/config.ini0 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/coul_E.dat 33349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/data.cgDOX 123386 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/g_cnt.dat 378032 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/iter0 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/log.cite 379930 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/log.lammps 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/log.txt 123428 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/potential_E.dat 125992 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/press.dat 553529 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/psi.dat 538 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/state2.restart 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/temp.dat 123428 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/vdw_E.dat 123423 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter0/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/bond_E.dat 2648 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/coul_E.dat 33349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/data.cgDOX 123376 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/g_cnt.dat 378026 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/iter1 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/log.cite 379912 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/log.txt 128394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/potential_E.dat 125974 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/press.dat 593392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/psi.dat 538 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/state2.restart 123394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/temp.dat 128394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/vdw_E.dat 123412 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter1/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/bond_E.dat 2663 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/coul_E.dat 33349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/data.cgDOX 123376 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/g_cnt.dat 635886 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/iter2 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/log.cite 379933 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/log.txt 128394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/potential_E.dat 125974 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/press.dat 593392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/psi.dat 538 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/state2.restart 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/temp.dat 128394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/vdw_E.dat 123412 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter2/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/CG_Q.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/bond_E.dat 2663 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/coul_E.dat 33349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/data.cgDOX 123343 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/g_cnt.dat 378035 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/iter3 123415 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/log.cite 379936 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/log.txt 123372 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/potential_E.dat 125877 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/press.dat 553326 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/psi.dat 538 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/state2.restart 123372 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/temp.dat 123372 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/vdw_E.dat 123363 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter3/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/bond_E.dat 2664 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/coul_E.dat 33349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/data.cgDOX 123389 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/g_cnt.dat 378034 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/iter4 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/log.cite 379936 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/log.txt 123377 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/potential_E.dat 125962 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/press.dat 553424 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/psi.dat 538 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/state2.restart 123362 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/temp.dat 123377 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/vdw_E.dat 123361 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter4/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/bond_E.dat 2664 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/coul_E.dat 33349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/data.cgDOX 123329 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/g_cnt.dat 378033 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/iter5 123361 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/log.cite 379935 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/log.txt 123444 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/potential_E.dat 125872 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/press.dat 553478 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/psi.dat 538 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/state2.restart 123324 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/temp.dat 123444 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/vdw_E.dat 123400 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter5/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/bond_E.dat 2663 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/coul_E.dat 33349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/data.cgDOX 123367 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/g_cnt.dat 378033 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/iter6 123321 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/log.cite 379934 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/log.txt 17325776 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/outfile.xtc 123354 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/potential_E.dat 125988 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/press.dat 553278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/psi.dat 538 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/state2.restart 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/temp.dat 123354 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/vdw_E.dat 123384 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/iter6/vol.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/lammps_nb_DOXDOX.table 1088 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/pgo.sh 537 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/103/psub.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/aa/ 1129985 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/aa/PV.xvg 1230 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/aa/PVcurve.bw.0.1.dat 399 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/aa/aa_voldis.xvg 24707 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/aa/whole_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/check_w_universal/ 399 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/check_w_universal/CGcheck_w_universaldistro.xvg 1411 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/check_w_universal/PVcurve.bw.0.1.dat 24722 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/check_w_universal/universal_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/iter6/ 399 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/iter6/CG6distro.xvg 1600 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/iter6/PVcurve.bw.0.1.dat 24708 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/Analysis/iter6/rdf_opt.xvg 769928 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/aa_pressures.xvg 750832 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/aa_volumes.xvg 2660 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/cgDOX.lmp 780847 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/cg_pressures.xvg 750850 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/cg_volumes.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/ 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/cgDOX.lmp 378131 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/cluster.out 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/coul_E.dat 33331 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/data.cgDOX 123408 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/enthalpy.dat 123419 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/log.cite 379940 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/log.lammps 17282996 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/outfile.xtc 769965 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/padded_Quadratic_correction.xvg 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/potential_E.dat 123356 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/press.dat 553319 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/press_tens.dat 544 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/state2.restart 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/temp.dat 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/vdw_E.dat 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/check_w_universal/vol.dat 591 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/config.ini0 33331 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/data.cgDOX 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/cgDOX.lmp 378133 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/cluster.out 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/coul_E.dat 33331 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/data.cgDOX 123306 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/g_cnt.dat 378752 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/iter6.o40778818 123400 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/log.cite 379942 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/log.txt 17285444 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/outfile.xtc 123375 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/potential_E.dat 123381 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/press.dat 553270 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/psi.dat 547 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/psub.sh 24689 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/rdf_opt.xvg 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/state2.restart 123363 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/temp.dat 123375 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/vdw_E.dat 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/get_opt_rdf/vol.dat 504 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/bond_E.dat 2672 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/coul_E.dat 33331 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/data.cgDOX 123408 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/g_cnt.dat 378752 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/iter6.o40778818 123391 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/log.cite 379943 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/log.txt 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/potential_E.dat 123327 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/press.dat 553164 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/psi.dat 664 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/state2.restart 123407 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/temp.dat 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/vdw_E.dat 123389 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/iter6/vol.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/lammps_nb_DOXDOX.table 1086 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/96_which_is_the_original/pgo.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/aa/ 1732 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/aa/PVcurve.bw.0.1.dat 402 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/aa/aavoldis.xvg 24909 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/aa/prod_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/check_w_universal/ 404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/check_w_universal/CGcheck_w_universaldistro.xvg 1844 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/check_w_universal/PVcurve.bw.0.1.dat 24883 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/check_w_universal/universal_rdf.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/iter6/ 403 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/iter6/CG6distro.xvg 1885 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/iter6/PVcurve.bw.0.1.dat 24847 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/Analysis/iter6/rdf_opt.xvg 764012 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/aa_pressures.xvg 750819 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/aa_volumes.xvg 2655 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/cgDOX.lmp 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/ 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/bond_E.dat 2668 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/cgDOX.lmp 378130 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/cluster.out 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/coul_E.dat 33347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/data.cgDOX 123392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/enthalpy.dat 123412 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/log.cite 379935 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/log.lammps 17291780 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/outfile.xtc 769965 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/padded_Quadratic_correction.xvg 123333 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/potential_E.dat 123362 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/press.dat 553220 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/press_tens.dat 544 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/state2.restart 123366 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/temp.dat 123333 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/vdw_E.dat 123362 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/check_w_universal/vol.dat 591 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/config.ini 573 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/config.ini0 33347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/data.cgDOX 504 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/ 52 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/bond_E.dat 2662 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/cgDOX.lmp 780856 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/cg_press.xvg 750855 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/cg_vols.xvg 599 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/config.ini 573 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/config.ini0 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/coul_E.dat 33347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/data.cgDOX 123332 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/g_cnt.dat 378031 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/iter0 123377 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/log.cite 379931 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/log.lammps 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/log.txt 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/potential_E.dat 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/press.dat 553327 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/press_tens.dat 76 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/state2.restart 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/temp.dat 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/vdw_E.dat 123373 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter0/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/bond_E.dat 2668 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/coul_E.dat 33347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/data.cgDOX 123336 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/g_cnt.dat 378034 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/iter1 123388 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/log.cite 379940 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/log.txt 123405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/potential_E.dat 123337 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/press.dat 553419 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/state2.restart 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/temp.dat 123405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/vdw_E.dat 123370 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter1/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/bond_E.dat 2667 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/coul_E.dat 33347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/data.cgDOX 123389 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/g_cnt.dat 378035 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/iter2 123395 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/log.cite 379940 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/log.txt 123349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/potential_E.dat 123370 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/press.dat 553414 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/state2.restart 123378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/temp.dat 123349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/vdw_E.dat 123316 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter2/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/bond_E.dat 2668 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/coul_E.dat 33347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/data.cgDOX 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/g_cnt.dat 378034 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/iter3 123387 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/log.cite 379940 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/log.txt 123329 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/potential_E.dat 123351 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/press.dat 553193 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/state2.restart 123361 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/temp.dat 123329 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/vdw_E.dat 123358 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter3/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/bond_E.dat 2668 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/coul_E.dat 33347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/data.cgDOX 123376 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/g_cnt.dat 378035 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/iter4 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/log.cite 379941 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/log.txt 123343 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/potential_E.dat 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/press.dat 553370 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/state2.restart 123422 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/temp.dat 123343 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/vdw_E.dat 123367 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter4/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/bond_E.dat 2668 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/coul_E.dat 33347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/data.cgDOX 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/g_cnt.dat 378033 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/iter5 123404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/log.cite 379939 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/log.txt 123338 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/potential_E.dat 123389 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/press.dat 553504 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/state2.restart 123394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/temp.dat 123338 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/vdw_E.dat 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter5/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/bond_E.dat 2667 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/coul_E.dat 33347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/data.cgDOX 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/g_cnt.dat 378034 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/iter6 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/log.cite 379939 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/log.txt 17291880 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/outfile.xtc 123362 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/potential_E.dat 123359 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/press.dat 553464 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/psi.dat 542 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/state2.restart 123393 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/temp.dat 123362 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/vdw_E.dat 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/iter6/vol.dat 67787 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/lammps_nb_DOXDOX.table 1088 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/pgo.sh 541 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/360K/98/psub.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter0/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter0/CG0distro.xvg 1887 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter0/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter1/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter1/CG1distro.xvg 1654 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter1/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter2/ 414 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter2/CG2distro.xvg 1889 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter2/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter3/ 415 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter3/CG3distro.xvg 1964 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter3/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter4/ 414 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter4/CG4distro.xvg 2167 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter4/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter5/ 414 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter5/CG5distro.xvg 2143 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter5/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter6/ 413 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter6/CG6distro.xvg 1700 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iter6/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/Analysis/iterlin/ 763437 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/aa_pressures.xvg 750824 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/aa_volumes.xvg 2658 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/cgDOX.lmp 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/Analysis/iterlin/ 417 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/Analysis/iterlin/CGlindistro.xvg 1811 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/Analysis/iterlin/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/Analysis/iterquad/ 414 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/Analysis/iterquad/CGquaddistro.xvg 2129 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/Analysis/iterquad/PVcurve.bw.0.1.dat 25147 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/Analysis/iterquad/rdf.xvg 510 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/ 377955 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/101l_sub 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/bond_E.dat 2669 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/coul_E.dat 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/data.cgDOX 123384 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/enthalpy.dat 123332 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/lammps_nb_DOXDOX.table 575133 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/lin_universal_press_correct.xvg 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/log.cite 379941 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/log.lammps 17309744 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/outfile.xtc 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/potential_E.dat 123343 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/press.dat 553281 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/press_tens.dat 523 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/state2.restart 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/temp.dat 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/vdw_E.dat 123407 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterlin/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/ 377852 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/101q_sub 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/bond_E.dat 2670 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/coul_E.dat 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/data.cgDOX 123372 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/enthalpy.dat 123351 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/log.cite 379939 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/log.lammps 17307488 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/outfile.xtc 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/potential_E.dat 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/press.dat 553374 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/press_tens.dat 523 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/psub.sh 622938 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/quad_universal_press_correct.xvg 25147 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/rdf.xvg 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/state2.restart 123403 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/temp.dat 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/vdw_E.dat 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/check_w_universal_Fv/iterquad/vol.dat 591 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/config.ini0 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/data.cgDOX 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/ 377995 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/101_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/bond_E.dat 18540 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/cg.tpr 2668 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/cgDOX.lmp 25099 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/cg_rdf.xvg 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/coul_E.dat 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/data.cgDOX 123342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/g_cnt.dat 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/log.cite 379941 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/log.txt 17309068 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/outfile.xtc 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/potential_E.dat 123364 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/press.dat 553299 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/state2.restart 123327 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/temp.dat 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/vdw_E.dat 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/get_rdf/vol.dat 510 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/ 50 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/Q.dat 763437 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/aa_pressures.xvg 750824 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/aa_volumes.xvg 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/bond_E.dat 2666 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/cgDOX.lmp 780830 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/cg_pressures.xvg 750850 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/cg_volumes.xvg 599 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/config.ini0 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/coul_E.dat 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/data.cgDOX 123382 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/g_cnt.dat 123410 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/log.cite 379936 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/log.lammps 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/log.txt 123416 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/potential_E.dat 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/press.dat 553227 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/psi.dat 504 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/state2.restart 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/temp.dat 377992 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/test 123416 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/vdw_E.dat 123339 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter0/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/ 378094 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/101_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/bond_E.dat 2669 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/coul_E.dat 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/data.cgDOX 123335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/g_cnt.dat 123384 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/log.cite 379941 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/log.txt 123354 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/potential_E.dat 123407 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/press.dat 553497 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/state2.restart 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/temp.dat 123354 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/vdw_E.dat 123415 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter1/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/ 378095 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/101_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/bond_E.dat 2669 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/coul_E.dat 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/data.cgDOX 123439 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/g_cnt.dat 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/log.cite 379942 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/log.txt 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/potential_E.dat 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/press.dat 553258 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/state2.restart 123429 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/temp.dat 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/vdw_E.dat 123359 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter2/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/ 378091 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/101_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/bond_E.dat 2670 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/coul_E.dat 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/data.cgDOX 123363 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/g_cnt.dat 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/log.cite 379939 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/log.txt 123367 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/potential_E.dat 123318 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/press.dat 553388 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/state2.restart 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/temp.dat 123367 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/vdw_E.dat 123382 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter3/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/ 377995 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/101_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/bond_E.dat 2670 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/coul_E.dat 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/data.cgDOX 123400 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/g_cnt.dat 123362 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/log.cite 379943 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/log.txt 123351 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/potential_E.dat 123350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/press.dat 553373 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/state2.restart 123356 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/temp.dat 123351 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/vdw_E.dat 123375 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter4/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/ 377992 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/101_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/bond_E.dat 2670 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/coul_E.dat 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/data.cgDOX 123388 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/g_cnt.dat 123364 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/log.cite 379940 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/log.txt 123440 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/potential_E.dat 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/press.dat 553376 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/state2.restart 123349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/temp.dat 123440 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/vdw_E.dat 123383 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter5/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/ 377995 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/101_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/bond_E.dat 2669 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/coul_E.dat 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/data.cgDOX 123342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/g_cnt.dat 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/log.cite 379942 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/log.txt 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/potential_E.dat 123364 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/press.dat 553299 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/state2.restart 123327 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/temp.dat 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/vdw_E.dat 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/iter6/vol.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/lammps_nb_DOXDOX.table 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/ 377995 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/101_optimalout 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/bond_E.dat 18540 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/cg.tpr 2664 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/cgDOX.lmp 25119 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/cg_rdf_opt_pair.xvg 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/coul_E.dat 33348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/data.cgDOX 123342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/g_cnt.dat 378752 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/iter6.o40782255 123375 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/kinetic_E.dat 67798 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/log.cite 379937 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/log.txt 17304948 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/outfile.xtc 123409 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/potential_E.dat 123358 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/press.dat 553251 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/psi.dat 524 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/state2.restart 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/temp.dat 123409 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/vdw_E.dat 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pair_from_101_rdf_vol_cal/vol.dat 1088 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/pgo.sh 516 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/101/psub.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter0/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter0/CG0distro.xvg 2554 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter0/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter1/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter1/CG1distro.xvg 1783 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter1/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter2/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter2/CG2distro.xvg 1846 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter2/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter3/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter3/CG3distro.xvg 2125 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter3/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter4/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter4/CG4distro.xvg 2385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter4/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter5/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter5/CG5distro.xvg 2194 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter5/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter6/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter6/CG6distro.xvg 2069 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/Analysis/iter6/PVcurve.bw.0.1.dat 763710 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/aa_pressures.xvg 750816 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/aa_volumes.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/ 377994 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/103_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/bond_E.dat 18540 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/cg.tpr 2670 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/cgDOX.lmp 25248 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/cg_rdf.xvg 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/coul_E.dat 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/data.cgDOX 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/g_cnt.dat 123349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/log.cite 379942 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/log.txt 17326336 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/outfile.xtc 123404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/potential_E.dat 123392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/press.dat 553385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/state2.restart 123377 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/temp.dat 123404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/vdw_E.dat 123364 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/calc_rdf/vol.dat 2659 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/cgDOX.lmp 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/Analysis/iterlin/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/Analysis/iterlin/CGlindistro.xvg 2355 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/Analysis/iterlin/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/Analysis/iterquad/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/Analysis/iterquad/CGquaddistro.xvg 2357 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/Analysis/iterquad/PVcurve.bw.0.1.dat 25288 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/Analysis/iterquad/rdf.xvg 510 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/ 377955 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/103l_sub 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/bond_E.dat 2669 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/coul_E.dat 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/data.cgDOX 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/enthalpy.dat 123344 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/lammps_nb_DOXDOX.table 575133 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/lin_universal_press_correct.xvg 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/log.cite 379941 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/log.lammps 17327936 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/outfile.xtc 123418 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/potential_E.dat 123372 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/press.dat 553406 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/press_tens.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/state2.restart 123398 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/temp.dat 123418 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/vdw_E.dat 123370 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterlin/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/ 377855 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/103q_sub 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/bond_E.dat 2670 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/coul_E.dat 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/data.cgDOX 123299 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/enthalpy.dat 123394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/log.cite 379942 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/log.lammps 17327004 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/outfile.xtc 123378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/potential_E.dat 123354 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/press.dat 553305 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/press_tens.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/psub.sh 622938 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/quad_universal_press_correct.xvg 25288 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/rdf.xvg 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/state2.restart 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/temp.dat 123378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/vdw_E.dat 123403 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/check_w_universal_Fv/iterquad/vol.dat 591 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/config.ini0 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/data.cgDOX 510 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/ 377992 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/103_out 50 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/Q.dat 763710 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/aa_pressures.xvg 750816 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/aa_volumes.xvg 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/bond_E.dat 2667 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/cgDOX.lmp 780830 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/cg_pressures.xvg 750845 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/cg_volumes.xvg 599 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/config.ini0 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/coul_E.dat 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/data.cgDOX 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/g_cnt.dat 123354 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/log.cite 379937 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/log.lammps 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/log.txt 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/potential_E.dat 123407 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/press.dat 553304 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/state2.restart 123352 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/temp.dat 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/vdw_E.dat 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter0/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/ 378091 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/103_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/bond_E.dat 2665 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/coul_E.dat 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/data.cgDOX 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/g_cnt.dat 123434 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/log.cite 379934 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/log.txt 123378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/potential_E.dat 123415 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/press.dat 553260 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/state2.restart 123373 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/temp.dat 123378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/vdw_E.dat 123413 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter1/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/ 378095 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/103_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/coul_E.dat 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/data.cgDOX 123359 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/g_cnt.dat 123364 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/log.cite 379944 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/log.txt 123357 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/potential_E.dat 123409 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/press.dat 553300 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/state2.restart 123365 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/temp.dat 123357 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/vdw_E.dat 123401 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter2/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/ 378092 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/103_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/coul_E.dat 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/data.cgDOX 123348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/g_cnt.dat 123405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/log.cite 379941 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/log.txt 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/potential_E.dat 123382 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/press.dat 553281 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/state2.restart 123398 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/temp.dat 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/vdw_E.dat 123394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter3/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/ 377994 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/103_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/coul_E.dat 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/data.cgDOX 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/g_cnt.dat 123375 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/log.cite 379943 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/log.txt 123366 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/potential_E.dat 123377 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/press.dat 553391 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/state2.restart 123333 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/temp.dat 123366 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/vdw_E.dat 123358 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter4/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/ 377995 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/103_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/coul_E.dat 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/data.cgDOX 123342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/g_cnt.dat 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/log.cite 379944 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/log.txt 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/potential_E.dat 123405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/press.dat 553181 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/state2.restart 123376 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/temp.dat 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/vdw_E.dat 123342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter5/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/ 377995 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/103_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/coul_E.dat 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/data.cgDOX 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/g_cnt.dat 123349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/log.cite 379944 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/log.txt 123404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/potential_E.dat 123392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/press.dat 553385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/state2.restart 123377 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/temp.dat 123404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/vdw_E.dat 123364 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/iter6/vol.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/lammps_nb_DOXDOX.table 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/ 377989 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/103_opt 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/bond_E.dat 18540 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/cg.tpr 2665 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/cgDOX.lmp 25278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/cg_rdf_103_opt.xvg 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/coul_E.dat 33350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/data.cgDOX 123386 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/g_cnt.dat 123363 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/kinetic_E.dat 67842 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/log.cite 379932 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/log.txt 17323940 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/outfile.xtc 123340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/potential_E.dat 123400 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/press.dat 553223 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/psi.dat 515 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/state2.restart 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/temp.dat 123340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/vdw_E.dat 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pair_from_103_rdf_vol_cal/vol.dat 1088 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/pgo.sh 516 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/103/psub.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter0/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter0/CG0distro.xvg 2639 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter0/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter1/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter1/CG1distro.xvg 2184 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter1/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter2/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter2/CG2distro.xvg 2024 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter2/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter3/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter3/CG3distro.xvg 2143 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter3/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter4/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter4/CG4distro.xvg 2584 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter4/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter5/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter5/CG5distro.xvg 2538 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter5/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter6/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter6/CG6distro.xvg 2115 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/Analysis/iter6/PVcurve.bw.0.1.dat 767034 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/aa_pressures.xvg 750838 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/aa_volumes.xvg 2652 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/cgDOX.lmp 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/Analysis/iterlin/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/Analysis/iterlin/CGlindistro.xvg 2495 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/Analysis/iterlin/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/Analysis/iterquad/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/Analysis/iterquad/CGquaddistro.xvg 2760 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/Analysis/iterquad/PVcurve.bw.0.1.dat 25498 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/Analysis/iterquad/rdf.xvg 510 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/ 377953 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/108l_sub 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/bond_E.dat 2666 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/coul_E.dat 33335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/data.cgDOX 123344 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/enthalpy.dat 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/lammps_nb_DOXDOX.table 575133 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/lin_universal_press_correct.xvg 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/log.cite 379935 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/log.lammps 17353044 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/outfile.xtc 123358 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/potential_E.dat 125847 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/press.dat 553299 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/press_tens.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/state2.restart 123354 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/temp.dat 123358 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/vdw_E.dat 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterlin/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/ 377853 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/108l_sub 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/bond_E.dat 2666 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/coul_E.dat 33335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/data.cgDOX 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/enthalpy.dat 123388 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/log.cite 379936 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/log.lammps 17351716 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/outfile.xtc 123332 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/potential_E.dat 125942 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/press.dat 553425 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/press_tens.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/psub.sh 622938 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/quad_universal_press_correct.xvg 25498 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/rdf.xvg 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/state2.restart 123393 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/temp.dat 123332 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/vdw_E.dat 123343 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/check_w_universal_Fv/iterquad/vol.dat 591 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/config.ini0 33335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/data.cgDOX 510 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/ 377996 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/108_out 50 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/Q.dat 767034 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/aa_pressures.xvg 750838 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/aa_volumes.xvg 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/bond_E.dat 2657 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/cgDOX.lmp 780819 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/cg_pressures.xvg 750826 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/cg_volumes.xvg 599 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/config.ini0 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/coul_E.dat 33335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/data.cgDOX 123404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/g_cnt.dat 123386 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/log.cite 379931 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/log.lammps 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/log.txt 123382 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/potential_E.dat 125900 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/press.dat 553425 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/press_tens.dat 76 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/state2.restart 123388 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/temp.dat 123382 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/vdw_E.dat 123375 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter0/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/ 378094 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/108_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/bond_E.dat 2658 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/coul_E.dat 33335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/data.cgDOX 123394 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/g_cnt.dat 123366 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/log.cite 379930 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/log.txt 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/potential_E.dat 125906 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/press.dat 553436 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/state2.restart 123359 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/temp.dat 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/vdw_E.dat 123392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter1/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/ 378095 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/108_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/bond_E.dat 2664 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/coul_E.dat 33335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/data.cgDOX 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/g_cnt.dat 123411 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/log.cite 379937 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/log.txt 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/potential_E.dat 125946 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/press.dat 553355 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/state2.restart 123393 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/temp.dat 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/vdw_E.dat 123387 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter2/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/ 378094 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/108_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/bond_E.dat 2664 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/coul_E.dat 33335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/data.cgDOX 123384 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/g_cnt.dat 123363 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/log.cite 379936 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/log.txt 123384 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/potential_E.dat 125900 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/press.dat 553273 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/state2.restart 123348 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/temp.dat 123384 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/vdw_E.dat 123359 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter3/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/ 377993 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/108_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/bond_E.dat 2664 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/coul_E.dat 33335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/data.cgDOX 123357 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/g_cnt.dat 123367 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/log.cite 379935 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/log.txt 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/potential_E.dat 125969 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/press.dat 553241 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/state2.restart 123355 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/temp.dat 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/vdw_E.dat 123383 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter4/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/ 377994 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/108_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/bond_E.dat 2664 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/coul_E.dat 33335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/data.cgDOX 123374 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/g_cnt.dat 123393 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/log.cite 379936 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/log.txt 123386 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/potential_E.dat 125871 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/press.dat 553373 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/state2.restart 123414 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/temp.dat 123386 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/vdw_E.dat 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter5/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/ 377991 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/108_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/bond_E.dat 2664 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/coul_E.dat 33335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/data.cgDOX 123398 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/g_cnt.dat 123392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/log.cite 379933 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/log.txt 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/potential_E.dat 125947 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/press.dat 553292 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/press_tens.dat 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/state2.restart 123389 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/temp.dat 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/vdw_E.dat 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/iter6/vol.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/lammps_nb_DOXDOX.table 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/ 377995 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/108_opt 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/bond_E.dat 18540 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/cg.tpr 2657 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/cgDOX.lmp 25490 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/cg_rdf_108_opt.xvg 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/coul_E.dat 33337 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/data.cgDOX 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/g_cnt.dat 378755 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/iter6.o39758543 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/kinetic_E.dat 67898 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/log.cite 379930 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/log.txt 17348904 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/outfile.xtc 128350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/potential_E.dat 125885 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/press.dat 553423 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/psi.dat 515 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/state2.restart 123354 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/temp.dat 128350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/vdw_E.dat 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pair_from_108_rdf_vol_cal/vol.dat 1088 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/pgo.sh 516 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/psub.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/ 377991 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/108_out 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/bond_E.dat 18540 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/cg.tpr 2665 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/cgDOX.lmp 25433 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/cg_rdf.xvg 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/coul_E.dat 33335 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/data.cgDOX 123398 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/enthalpy.dat 123392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/log.cite 379934 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/log.lammps 17354936 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/outfile.xtc 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/potential_E.dat 125947 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/press.dat 553292 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/press_tens.dat 516 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/psub.sh 2249100 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/rdf_lj.out 2790 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/some_output.txt 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/state2.restart 123389 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/temp.dat 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/vdw_E.dat 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/108/rdf_calc/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/Analysis/iterlin/ 399 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/Analysis/iterlin/CGlindistro.xvg 1601 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/Analysis/iterlin/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/Analysis/iterquad/ 399 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/Analysis/iterquad/CGquaddistro.xvg 1609 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/Analysis/iterquad/PVcurve.bw.0.1.dat 24630 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/Analysis/iterquad/rdf.xvg 2649 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/cgDOX.lmp 33329 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/data.cgDOX 510 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/ 377955 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/96l_full 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/coul_E.dat 33329 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/data.cgDOX 123362 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/enthalpy.dat 123401 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/lammps_nb_DOXDOX.table 575133 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/lin_universal_press_correct.xvg 406612 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/linear_fit_extended.csv 384661 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/linear_fit_extended.xvg 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/log.cite 379943 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/log.lammps 17282716 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/outfile.xtc 123387 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/potential_E.dat 123329 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/press.dat 553267 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/press_tens.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/state2.restart 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/temp.dat 123387 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/vdw_E.dat 123361 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterlin/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/ 377952 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/96q_out 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/bond_E.dat 2672 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/coul_E.dat 33329 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/data.cgDOX 123392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/enthalpy.dat 123435 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/log.cite 379941 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/log.lammps 17282080 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/outfile.xtc 123405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/potential_E.dat 123341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/press.dat 553401 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/press_tens.dat 511 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/psub.sh 622938 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/quad_universal_press_correct.xvg 384688 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/quadratic_fit_extended.xvg 24630 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/rdf.xvg 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/state2.restart 123404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/temp.dat 123405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/vdw_E.dat 123378 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/iterquad/vol.dat 575133 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/lin_universal_press_correct.xvg 406612 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/linear_fit_extended.csv 384661 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/linear_fit_extended.xvg 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/psub.sh 705949 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/quad_universal_press_correct.xvg 406639 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/quadratic_fit_extended.csv 384688 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/check_w_universal_Fv/quadratic_fit_extended.xvg 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/ 377994 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/101_out 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/bond_E.dat 18540 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/cg.tpr 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/cgDOX.lmp 24583 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/cg_rdf.xvg 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/coul_E.dat 33329 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/data.cgDOX 123368 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/g_cnt.dat 378752 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/iter6.o40778833 123341 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/log.cite 379943 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/log.txt 17287672 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/outfile.xtc 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/potential_E.dat 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/press.dat 553219 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/state2.restart 123374 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/temp.dat 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/vdw_E.dat 123354 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/96_which_is_the_original/rdf_calc/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter0/ 420 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter0/CG0distro.xvg 2134 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter0/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter1/ 407 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter1/CG1distro.xvg 1549 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter1/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter2/ 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter2/CG2distro.xvg 1661 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter2/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter3/ 402 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter3/CG3distro.xvg 1716 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter3/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter4/ 402 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter4/CG4distro.xvg 1618 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter4/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter5/ 403 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter5/CG5distro.xvg 1678 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter5/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter6/ 403 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter6/CG6distro.xvg 1943 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/Analysis/iter6/PVcurve.bw.0.1.dat 768097 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/aa_pressures.xvg 750823 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/aa_volumes.xvg 2661 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/cgDOX.lmp 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/bond_E.dat 2673 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/data.cgDOX 123366 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/g_cnt.dat 377992 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/iter6 377992 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/iter6_test 123389 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/log.cite 379943 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/log.txt 123344 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/potential_E.dat 123340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/press.dat 553320 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/psi.dat 522 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/state2.restart 123372 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/temp.dat 123344 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/vdw_E.dat 123410 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_compile/iter6/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/Analysis/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/Analysis/iterlin/ 404 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/Analysis/iterlin/CGlindistro.xvg 1731 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/Analysis/iterlin/PVcurve.bw.0.1.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/Analysis/iterquad/ 402 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/Analysis/iterquad/CGquaddistro.xvg 1840 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/Analysis/iterquad/PVcurve.bw.0.1.dat 24977 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/Analysis/iterquad/rdf.xvg 510 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/ 377956 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/98l_sub_u 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/bond_E.dat 2671 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/data.cgDOX 123395 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/enthalpy.dat 123358 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/lammps_nb_DOXDOX.table 575133 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/lin_universal_press_correct.xvg 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/log.cite 379944 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/log.lammps 17293076 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/outfile.xtc 123377 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/potential_E.dat 123385 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/press.dat 553418 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/press_tens.dat 505 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/state2.restart 123411 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/temp.dat 123377 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/vdw_E.dat 123371 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterlin/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/ 377955 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/98l_sub_u 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/bond_E.dat 2672 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/data.cgDOX 123365 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/enthalpy.dat 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/log.cite 379944 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/log.lammps 17289740 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/outfile.xtc 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/potential_E.dat 123408 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/press.dat 553401 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/press_tens.dat 505 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/psub.sh 622938 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/quad_universal_press_correct.xvg 24977 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/rdf.xvg 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/state2.restart 123393 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/temp.dat 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/vdw_E.dat 123398 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/check_w_universal_Fv/iterquad/vol.dat 591 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/config.ini0 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/data.cgDOX 520 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/gocheck.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/ 52 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/Q.dat 768097 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/aa_pressures.xvg 750823 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/aa_volumes.xvg 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/bond_E.dat 2668 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/cgDOX.lmp 780859 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/cg_pressures.xvg 750842 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/cg_volumes.xvg 599 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/config.ini 581 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/config.ini0 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/data.cgDOX 123395 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/g_cnt.dat 377990 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/iter0 123365 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/log.cite 379936 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/log.lammps 79 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/log.txt 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/potential_E.dat 123438 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/press.dat 553427 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/state2.restart 123381 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/temp.dat 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/vdw_E.dat 123316 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter0/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/bond_E.dat 2674 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/data.cgDOX 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/g_cnt.dat 378092 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/iter1 123367 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/log.cite 379944 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/log.txt 123432 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/potential_E.dat 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/press.dat 553380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/state2.restart 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/temp.dat 123432 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/vdw_E.dat 123347 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter1/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/bond_E.dat 2673 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/data.cgDOX 123400 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/g_cnt.dat 378090 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/iter2 123359 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/log.cite 379941 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/log.txt 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/potential_E.dat 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/press.dat 553331 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/state2.restart 123396 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/temp.dat 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/vdw_E.dat 123359 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter2/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/bond_E.dat 2673 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/data.cgDOX 123353 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/g_cnt.dat 378092 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/iter3 123409 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/log.cite 379943 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/log.txt 123395 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/potential_E.dat 123357 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/press.dat 553309 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/psi.dat 507 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/state2.restart 123350 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/temp.dat 123395 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/vdw_E.dat 123338 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter3/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/bond_E.dat 2673 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/data.cgDOX 123349 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/g_cnt.dat 377991 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/iter4 123387 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/log.cite 379942 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/log.txt 123362 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/potential_E.dat 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/press.dat 553355 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/state2.restart 123426 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/temp.dat 123362 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/vdw_E.dat 123424 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter4/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/ 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/Q.dat 47109 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/angle_E.dat 47109 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/bond_E.dat 2673 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/config.ini 47109 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/data.cgDOX 118857 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/g_cnt.dat 363213 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/iter5 118869 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/log.cite 360448 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/log.txt 118811 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/potential_E.dat 118832 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/press.dat 533036 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/state2.restart 118845 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/temp.dat 118811 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/vdw_E.dat 118847 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter5/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/ 12288 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/.cgDOX.lmp.swp 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/bond_E.dat 2673 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/cgDOX.lmp 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/data.cgDOX 123366 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/g_cnt.dat 377992 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/iter6 123389 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/log.cite 379943 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/log.txt 123344 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/potential_E.dat 123340 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/press.dat 553320 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/press_tens.dat 78 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/psi.dat 517 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/state2.restart 123372 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/temp.dat 123344 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/vdw_E.dat 123410 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/iter6/vol.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/log.cite 2226 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/log.lammps 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/ 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/ 2248713 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/98q_opt_u 5049 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/angle_E.dat 5049 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/bond_E.dat 2672 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/cgDOX.lmp 5049 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/data.cgDOX 13516 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/enthalpy.dat 13510 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/kinetic_E.dat 67790 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/lammps_nb_DOXDOX.table 575133 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/lin_universal_press_correct.xvg 406611 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/linear_fit_extended.csv 384661 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/linear_fit_extended.xvg 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/log.cite 46525 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/log.lammps 1969428 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/outfile.xtc 13531 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/potential_E.dat 13519 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/press.dat 62422 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/press_tens.dat 505 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/psub.sh 622938 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/quad_universal_press_correct.xvg 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/state2.restart 13522 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/temp.dat 479039 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/universal_press_correct.xvg 13531 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/vdw_E.dat 13521 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/check_w_universal_Fv/vol.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/ 377993 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/98_optimalpair 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/AA_g_cnt.dat 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/CG_Q.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/CG_g_cnt.dat 42 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/Q.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/bond_E.dat 18540 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/cg.tpr 2667 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/cgDOX.lmp 24964 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/cg_rdf_opt_pair.xvg 598 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/config.ini 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/data.cgDOX 123327 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/enthalpy.dat 18 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/g_cnt.dat 378749 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/iter6.o40782248 123392 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/kinetic_E.dat 67790 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/log.cite 379938 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/log.lammps 158 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/log.txt 328 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/noteaboutthisfolder.txt 24968 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/opt_cg_rdf.xvg 17294384 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/outfile.xtc 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/potential_E.dat 123400 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/press.dat 553322 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/press_tens.dat 77 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/psi.dat 516 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/psub.sh 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/state2.restart 123375 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/temp.dat 123397 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/vdw_E.dat 123379 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pair_from_98_rdf_vol_cal/rdf_calc_pair_from_98_and_stpt/vol.dat 1088 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/pgo.sh 516 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/psub.sh 0 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/ 378087 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/NAME 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/angle_E.dat 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/bond_E.dat 18540 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/cg.tpr 2824 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/cgDOX.lmp 48929 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/coul_E.dat 33342 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/data.cgDOX 123369 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/enthalpy.dat 123360 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/kinetic_E.dat 67789 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/log.cite 380189 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/log.lammps 17433872 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/outfile.xtc 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/potential_E.dat 123403 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/press.dat 553356 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/press_tens.dat 516 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/psub.sh 24927 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/rdf.xvg 1907251 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/rdf_lj.out 99 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/rdf_lj2.out 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/state1.restart 94278 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/state2.restart 123390 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/temp.dat 123380 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/vdw_E.dat 123413 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/rdf_calc/vol.dat 1086 01-26-2024 19:46 dioxane-data/DD_Models_Ref_from_V96/380K/98/somefile.txt 2654 01-26-2024 19:43 dioxane-data/DD_Models_Ref_from_V96/380K/cgDOX.lmp 33329 01-26-2024 19:43 dioxane-data/DD_Models_Ref_from_V96/380K/data.cgDOX 520 01-26-2024 19:43 dioxane-data/DD_Models_Ref_from_V96/380K/gocheck.sh 67789 01-26-2024 19:43 dioxane-data/DD_Models_Ref_from_V96/380K/lammps_nb_DOXDOX.table 44 01-26-2024 19:43 dioxane-data/DD_Models_Ref_from_V96/380K/note_about_this_folder 1086 01-26-2024 19:43 dioxane-data/DD_Models_Ref_from_V96/380K/pgo.sh 506 01-26-2024 19:43 dioxane-data/DD_Models_Ref_from_V96/380K/psub.sh 401 01-27-2024 14:29 dioxane-data/DD_Models_Ref_from_V96/noteaboutthisfolder.txt 0 01-28-2024 16:24 dioxane-data/Global_Model/ 0 01-31-2024 10:38 dioxane-data/Global_Model/fit3Dcurve/ 0 01-28-2024 16:28 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/ 80962 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/300_96.xyz 86073 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/320_96.xyz 87027 06-05-2023 15:21 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/320_98.xyz 102616 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/340_101.xyz 79482 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/340_96.xyz 86838 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/340_98.xyz 91669 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/360_101.xyz 111140 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/360_103.xyz 70012 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/360_96.xyz 87399 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/360_98.xyz 104566 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/380_101.xyz 108523 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/380_103.xyz 121877 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/380_106.xyz 72364 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/380_96.xyz 84556 06-01-2023 12:02 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/380_98.xyz 1375103 06-05-2023 15:25 dioxane-data/Global_Model/fit3Dcurve/T_V_Fv_xyzfiles/super_file2.xyz 868 01-28-2024 16:27 dioxane-data/Global_Model/fit3Dcurve/file_merger2.py 955 09-13-2023 09:59 dioxane-data/Global_Model/fit3Dcurve/fit_3D_dT.py 932 01-28-2024 16:27 dioxane-data/Global_Model/fit3Dcurve/plot_files.py 1375103 01-28-2024 16:27 dioxane-data/Global_Model/fit3Dcurve/superfile3.xyz 0 01-26-2024 19:38 dioxane-data/Global_Model/results_of_sims/ 0 01-26-2024 19:38 dioxane-data/Global_Model/results_of_sims/320/ 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/320/96/ 399 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/320/96/CG3Dcurvedistro.xvg 1698 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/320/96/PVcurve.bw.0.1.dat 24719 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/320/96/cg_rdf.xvg 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/320/98/ 404 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/320/98/CG3Dcurvedistro.xvg 1854 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/320/98/PVcurve.bw.0.1.dat 24936 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/320/98/cg_rdf.xvg 0 01-26-2024 19:38 dioxane-data/Global_Model/results_of_sims/340/ 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/101/ 413 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/101/CG3Dcurvedistro.xvg 1905 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/101/PVcurve.bw.0.1.dat 25154 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/101/cg_rdf.xvg 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/96/ 399 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/96/CG3Dcurvedistro.xvg 1511 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/96/PVcurve.bw.0.1.dat 24844 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/96/cg_rdf.xvg 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/98/ 403 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/98/CG3Dcurvedistro.xvg 1850 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/98/PVcurve.bw.0.1.dat 24879 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/340/98/cg_rdf.xvg 0 01-26-2024 19:38 dioxane-data/Global_Model/results_of_sims/360/ 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/101/ 415 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/101/CG3Dcurvedistro.xvg 1771 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/101/PVcurve.bw.0.1.dat 25112 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/101/cg_rdf.xvg 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/103/ 420 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/103/CG_distro.xvg 2135 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/103/PVcurve.bw.0.1.dat 25306 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/103/cg_rdf.xvg 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/96/ 399 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/96/CG3Dcurvedistro.xvg 1497 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/96/PVcurve.bw.0.1.dat 24755 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/96/cg_rdf.xvg 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/98/ 401 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/98/CG3Dcurvedistro.xvg 1768 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/98/PVcurve.bw.0.1.dat 24905 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/360/98/cg_rdf.xvg 0 01-26-2024 19:38 dioxane-data/Global_Model/results_of_sims/380/ 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/101/ 416 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/101/CG_distro.xvg 1769 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/101/PVcurve.bw.0.1.dat 25179 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/101/cg_rdf.xvg 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/103/ 420 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/103/CG_distro.xvg 1936 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/103/PVcurve.bw.0.1.dat 25311 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/103/cg_rdf.xvg 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/106/ 420 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/106/CG_distro.xvg 2808 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/106/PVcurve.bw.0.1.dat 25531 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/106/cg_rdf.xvg 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/96/ 399 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/96/CG_distro.xvg 1831 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/96/PVcurve.bw.0.1.dat 24645 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/96/cg_rdf.xvg 0 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/98/ 405 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/98/CG_distro.xvg 1870 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/98/PVcurve.bw.0.1.dat 25011 01-26-2024 19:41 dioxane-data/Global_Model/results_of_sims/380/98/cg_rdf.xvg 0 01-27-2024 15:14 dioxane-data/Global_Model/run_sims/ 0 01-27-2024 14:52 dioxane-data/Global_Model/run_sims/300/ 57324017 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/300_3Dfit_LAMMPS2.xvg 603 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/PVcurve.bw.0.25.dat 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/analysis/ 1470 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/analysis/PVcurve.bw.0.1.dat 24714 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/analysis/cg_rdf.xvg 399 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/analysis/cg_vol_dis.xvg 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/bond_E.dat 2651 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/cgDOX.lmp 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/data.cgDOX 33327 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/data.cgDOX2 123369 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/enthalpy.dat 375003362 01-26-2024 19:40 dioxane-data/Global_Model/run_sims/300/iter6 123335 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/kinetic_E.dat 67777 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/log.cite 375005125 01-26-2024 19:40 dioxane-data/Global_Model/run_sims/300/log.lammps 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/ 123 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/angle_E.dat 123 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/bond_E.dat 2658 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/cgDOX.lmp 123 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/data.cgDOX 300 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/enthalpy.dat 303 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/kinetic_E.dat 67777 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/log.cite 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/log.lammps 301 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/potential_E.dat 314 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/press.dat 1348 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/press_tens.dat 94254 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/state1.restart 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/ 743716 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/300_padded.txt 582002 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/300_padded2.dat 524916 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/320_3Dfit_LAMMPS2.xvg 70230 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/LAMMPS_SANITY_CHECK.xvg 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/bond_E.dat 2653 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/cgDOX.lmp 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/data.cgDOX 123375 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/enthalpy.dat 375003351 01-26-2024 19:40 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/iter6 123352 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/kinetic_E.dat 67777 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/log.cite 375005116 01-26-2024 19:40 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/log.lammps 17284712 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/outfile.xtc 123374 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/potential_E.dat 125891 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/press.dat 553470 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/press_tens.dat 542 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/psub.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/state2.restart 3122844 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/tabulated_300.xvg_forces 123417 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/temp.dat 123374 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/vdw_E.dat 123361 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/tabulated_check/vol.dat 305 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/temp.dat 301 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/vdw_E.dat 303 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/og_sanity_check/vol.dat 17283340 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/outfile.xtc 123405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/potential_E.dat 125882 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/press.dat 553392 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/press_tens.dat 542 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/psub.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/state2.restart 2653 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/tabulated_cgDox 123376 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/temp.dat 123405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/vdw_E.dat 123374 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/300/vol.dat 0 01-26-2024 19:38 dioxane-data/Global_Model/run_sims/320/ 0 01-28-2024 15:42 dioxane-data/Global_Model/run_sims/320/96_og/ 524912 01-27-2024 14:54 dioxane-data/Global_Model/run_sims/320/96_og/320_3Dfit_LAMMPS2.xvg 399 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/CG3Dcurvedistro.xvg 1698 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/PVcurve.bw.0.1.dat 652 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/bond_E.dat 2660 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/cgDOX.lmp 24719 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/cg_rdf.xvg 5543 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/data.cgDOX 123401 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/enthalpy.dat 378567 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/iter6 123370 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/log.cite 379931 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/log.lammps 17284004 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/outfile.xtc 123345 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/potential_E.dat 123366 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/press.dat 553404 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/press_tens.dat 542 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/rdf.sh 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/ 524916 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/320_3Dfit_LAMMPS2.xvg 399 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/CG3Dcurvedistro.xvg 1698 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/PVcurve.bw.0.1.dat 50 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/angle_E.dat 50 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/bond_E.dat 2657 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/cgDOX.lmp 24719 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/cg_rdf.xvg 5543 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/clusterout.out 50 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/data.cgDOX 80 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/enthalpy.dat 378567 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/iter6 80 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/log.cite 188416 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/log.lammps 8192 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/outfile.xtc 80 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/potential_E.dat 83 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/press.dat 257 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/press_tens.dat 542 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/state2.restart 82 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/temp.dat 80 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/vdw_E.dat 81 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/sanity_check/vol.dat 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/state2.restart 123389 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/temp.dat 123345 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/vdw_E.dat 123406 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/96_og/vol.dat 0 01-27-2024 14:55 dioxane-data/Global_Model/run_sims/320/98/ 524916 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/320_3Dfit_LAMMPS2.xvg 404 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/CG3Dcurvedistro.xvg 1854 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/PVcurve.bw.0.1.dat 759 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/bond_E.dat 2653 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/cgDOX.lmp 24936 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/cg_rdf.xvg 5555 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/data.cgDOX 123329 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/enthalpy.dat 378468 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/iter6 123380 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/log.cite 379925 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/log.lammps 17290480 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/outfile.xtc 123302 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/potential_E.dat 125958 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/press.dat 553258 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/press_tens.dat 542 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/state2.restart 123394 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/temp.dat 123302 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/vdw_E.dat 123357 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/320/98/vol.dat 0 01-26-2024 19:38 dioxane-data/Global_Model/run_sims/340/ 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/ 524963 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/340_3Dfit_LAMMPS2.xvg 413 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/CG3Dcurvedistro.xvg 1905 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/PVcurve.bw.0.1.dat 777 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/bond_E.dat 2654 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/cgDOX.lmp 25154 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/cg_rdf.xvg 5526 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/coul_E.dat 33341 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/data.cgDOX 123384 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/enthalpy.dat 123370 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/kinetic_E.dat 67783 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/log.cite 379925 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/log.lammps 17301972 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/outfile.xtc 123395 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/potential_E.dat 125947 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/press.dat 553314 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/press_tens.dat 548 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/state2.restart 123369 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/temp.dat 123395 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/vdw_E.dat 123373 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/101/vol.dat 0 01-27-2024 14:55 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/ 524959 01-27-2024 14:55 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/340_3Dfit_LAMMPS2.xvg 524999 01-27-2024 14:55 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/360_3Dfit_LAMMPS2.xvg 399 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/CG3Dcurvedistro.xvg 1511 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/PVcurve.bw.0.1.dat 562 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/bond_E.dat 2660 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/cgDOX.lmp 24844 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/cg_rdf.xvg 5561 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/coul_E.dat 33333 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/data.cgDOX 123389 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/enthalpy.dat 123413 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/kinetic_E.dat 67783 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/log.cite 379930 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/log.lammps 17282904 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/outfile.xtc 123411 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/potential_E.dat 123368 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/press.dat 553278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/press_tens.dat 540 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/psub.sh 378567 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/q340u96 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/state2.restart 123384 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/temp.dat 123411 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/vdw_E.dat 123403 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/96_which_is_the_original/vol.dat 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/ 524963 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/340_3Dfit_LAMMPS2.xvg 403 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/CG3Dcurvedistro.xvg 1850 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/PVcurve.bw.0.1.dat 714 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/bond_E.dat 2659 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/cgDOX.lmp 24879 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/cg_rdf.xvg 5530 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/coul_E.dat 33330 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/data.cgDOX 123389 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/enthalpy.dat 123377 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/kinetic_E.dat 67783 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/log.cite 379931 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/log.lammps 17292760 01-26-2024 19:40 dioxane-data/Global_Model/run_sims/340/98/outfile.xtc 123389 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/potential_E.dat 123339 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/press.dat 553458 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/press_tens.dat 547 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/state2.restart 123383 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/temp.dat 123389 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/vdw_E.dat 123354 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/340/98/vol.dat 0 01-26-2024 19:38 dioxane-data/Global_Model/run_sims/360/ 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/ 525003 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/360_3Dfit_LAMMPS2.xvg 415 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/CG3Dcurvedistro.xvg 1771 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/PVcurve.bw.0.1.dat 772 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/bond_E.dat 2659 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/cgDOX.lmp 25112 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/cg_rdf.xvg 378566 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/cluster.out 5528 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/coul_E.dat 33340 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/data.cgDOX 123389 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/enthalpy.dat 123389 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/kinetic_E.dat 67787 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/log.cite 379929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/log.lammps 17306572 01-26-2024 19:40 dioxane-data/Global_Model/run_sims/360/101/outfile.xtc 123399 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/potential_E.dat 123407 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/press.dat 553191 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/press_tens.dat 545 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/state2.restart 123348 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/temp.dat 123399 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/vdw_E.dat 123385 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/101/vol.dat 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/ 525003 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/360_3Dfit_LAMMPS2.xvg 420 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/CG_distro.xvg 2135 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/PVcurve.bw.0.1.dat 934 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/bond_E.dat 2653 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/cgDOX.lmp 25306 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/cg_rdf.xvg 5626 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/coul_E.dat 33349 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/data.cgDOX 123371 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/enthalpy.dat 123364 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/kinetic_E.dat 67787 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/log.cite 379921 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/log.lammps 17325272 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/outfile.xtc 123396 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/potential_E.dat 125947 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/press.dat 553353 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/press_tens.dat 548 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/state2.restart 123372 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/temp.dat 123396 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/vdw_E.dat 123406 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/103/vol.dat 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/ 525003 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/360_3Dfit_LAMMPS2.xvg 399 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/CG3Dcurvedistro.xvg 1497 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/PVcurve.bw.0.1.dat 643 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/bond_E.dat 2661 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/cgDOX.lmp 24755 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/cg_rdf.xvg 378568 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/cluster.out 5644 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/coul_E.dat 33331 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/data.cgDOX 123404 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/enthalpy.dat 123393 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/kinetic_E.dat 67787 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/log.cite 379933 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/log.lammps 17283044 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/outfile.xtc 123377 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/potential_E.dat 123330 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/press.dat 553419 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/press_tens.dat 544 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/state2.restart 123392 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/temp.dat 123377 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/vdw_E.dat 123379 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/96_which_is_the_original/vol.dat 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/ 525003 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/360_3Dfit_LAMMPS2.xvg 401 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/CG3Dcurvedistro.xvg 1768 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/PVcurve.bw.0.1.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/bond_E.dat 2658 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/cgDOX.lmp 24905 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/cg_rdf.xvg 378566 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/cluster.out 5532 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/coul_E.dat 33347 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/data.cgDOX 123372 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/enthalpy.dat 123337 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/kinetic_E.dat 67787 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/log.cite 379927 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/log.lammps 17295504 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/outfile.xtc 123399 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/potential_E.dat 123370 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/press.dat 553295 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/press_tens.dat 544 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/state2.restart 123299 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/temp.dat 123399 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/vdw_E.dat 123369 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/360/98/vol.dat 0 01-26-2024 19:38 dioxane-data/Global_Model/run_sims/380/ 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/ 378351 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/101l_sub 470989 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/380_3Dfit_LAMMPS2.xvg 416 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/CG_distro.xvg 1769 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/PVcurve.bw.0.1.dat 764 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/bond_E.dat 2659 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/cgDOX.lmp 25179 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/cg_rdf.xvg 5607 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/coul_E.dat 33348 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/data.cgDOX 123371 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/enthalpy.dat 123358 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/log.cite 379927 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/log.lammps 17312316 01-26-2024 19:40 dioxane-data/Global_Model/run_sims/380/101/outfile.xtc 123393 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/potential_E.dat 123348 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/press.dat 553364 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/press_tens.dat 523 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/state2.restart 123415 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/temp.dat 123393 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/vdw_E.dat 123347 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/101/vol.dat 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/ 378353 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/103l_sub 470989 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/380_3Dfit_LAMMPS2.xvg 420 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/CG_distro.xvg 1936 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/PVcurve.bw.0.1.dat 862 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/bond_E.dat 2659 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/cgDOX.lmp 25311 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/cg_rdf.xvg 5539 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/coul_E.dat 33350 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/data.cgDOX 123379 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/enthalpy.dat 123374 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/log.cite 379929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/log.lammps 17325152 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/outfile.xtc 123358 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/potential_E.dat 123399 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/press.dat 553286 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/press_tens.dat 517 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/state2.restart 123414 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/temp.dat 123358 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/vdw_E.dat 123368 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/103/vol.dat 0 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/ 378355 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/108l_sub 470989 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/380_3Dfit_LAMMPS2.xvg 420 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/CG_distro.xvg 2808 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/PVcurve.bw.0.1.dat 992 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/bond_E.dat 2656 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/cgDOX.lmp 25531 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/cg_rdf.xvg 5525 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/coul_E.dat 33335 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/data.cgDOX 123341 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/enthalpy.dat 123393 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/log.cite 379927 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/log.lammps 17351156 01-26-2024 19:40 dioxane-data/Global_Model/run_sims/380/106/outfile.xtc 123341 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/potential_E.dat 125958 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/press.dat 553307 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/press_tens.dat 517 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/state2.restart 123366 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/temp.dat 123341 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/vdw_E.dat 123361 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/106/vol.dat 0 01-27-2024 15:00 dioxane-data/Global_Model/run_sims/380/96_which_is_og/ 378351 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/101_out 470987 01-27-2024 14:56 dioxane-data/Global_Model/run_sims/380/96_which_is_og/380_3Dfit_LAMMPS2.xvg 399 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/CG_distro.xvg 1831 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/PVcurve.bw.0.1.dat 668 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/bond_E.dat 2661 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/cgDOX.lmp 24645 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/cg_rdf.xvg 5775 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/coul_E.dat 33329 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/data.cgDOX 123411 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/enthalpy.dat 123354 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/log.cite 379929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/log.lammps 17277712 01-26-2024 19:40 dioxane-data/Global_Model/run_sims/380/96_which_is_og/outfile.xtc 123360 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/potential_E.dat 123408 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/press.dat 553243 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/press_tens.dat 517 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/psub.sh 681 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/rdf.sh 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/state1.restart 94278 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/state2.restart 123425 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/temp.dat 123360 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/vdw_E.dat 123361 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/96_which_is_og/vol.dat 0 01-27-2024 14:59 dioxane-data/Global_Model/run_sims/380/98/ 470989 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/380_3Dfit_LAMMPS2.xvg 378353 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/98l_sub_u 405 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/CG_distro.xvg 1870 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/PVcurve.bw.0.1.dat 691 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/bond_E.dat 2661 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/cgDOX.lmp 25011 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/cg_rdf.xvg 5590 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/clusterout.out 48929 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/coul_E.dat 33342 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/data.cgDOX 123395 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/enthalpy.dat 123421 01-26-2024 19:41 dioxane-data/Global_Model/run_sims/380/98/kinetic_E.dat 67789 01-26-2024 19:41 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12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/density_varies_analysis/380_101/forcematch.sh 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/density_varies_analysis/380_101/g.Pair_Interaction.total.DOXDOX.dat 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/density_varies_analysis/380_101/g_cnt.Pair_Interaction.total.DOXDOX.dat 72 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/density_varies_analysis/380_101/inp.txt 69834 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/density_varies_analysis/380_101/log.txt --------- ------- 5435069501 4263 files ===================================================== Content of ZIP archive dioxane-data-002.zip ===================================================== Archive: dioxane-data-002.zip Length Date Time 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dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/observed_changes_from_forcematching_and_AA_sims/temperature_dKF.xvg 5167620 12-21-2023 20:57 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/observed_changes_from_forcematching_and_AA_sims/temperature_dK_with_r.xvg 7230 12-21-2023 12:44 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/observed_changes_from_forcematching_and_AA_sims/temperature_dfind.xvg 0 02-01-2024 13:49 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/predictions_from_inverting_K_derived_matrices/ 53347 12-22-2023 00:37 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/predictions_from_inverting_K_derived_matrices/Predictions_Figure.agr 52383 12-22-2023 00:37 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/predictions_from_inverting_K_derived_matrices/Predictions_Figure.eps 53493 01-03-2024 12:29 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/predictions_from_inverting_K_derived_matrices/Predictions_Figure_v2.agr 54744 01-03-2024 12:29 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/predictions_from_inverting_K_derived_matrices/Predictions_Figure_v2.eps 54742 01-03-2024 12:30 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/predictions_from_inverting_K_derived_matrices/Predictions_Figure_v2_Scaled.eps 12717 12-21-2023 14:07 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/predictions_from_inverting_K_derived_matrices/predicted_density_dF.xvg 12573 12-21-2023 14:26 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/predictions_from_inverting_K_derived_matrices/predicted_density_dF_linearway.xvg 12588 12-21-2023 14:38 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/predictions_from_inverting_K_derived_matrices/predicted_density_dF_matrix_way.xvg 11967 12-21-2023 14:45 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/predictions_from_inverting_K_derived_matrices/predicted_density_dF_no_3body_term.xvg 12718 12-21-2023 14:09 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/predictions_from_inverting_K_derived_matrices/predicted_temperature_dF.xvg 0 02-01-2024 13:48 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ 0 12-21-2023 12:47 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/ 11574 12-21-2023 12:34 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/F_ind.xvg 8144 12-21-2023 12:47 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/Fbar.xvg 8407079 12-21-2023 11:57 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/G_hm.dat 4378913 12-21-2023 12:27 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/K.xvg 6242515 12-21-2023 11:57 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/M2_hm.dat 8408235 12-21-2023 11:57 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/M_hm.dat 14616 12-21-2023 11:37 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/f_forces.Pair_Interaction.total.DOXDOX.dat 14616 12-21-2023 11:37 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/g.Pair_Interaction.total.DOXDOX.dat 68770 12-21-2023 12:47 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/get_Fbar.agr 24250 12-21-2023 11:51 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/minkTlog_master_rdf.xvg 4763858 12-21-2023 11:34 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/save.M.dat 4674969 12-21-2023 11:34 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/colder_state/save.M2.dat 0 12-21-2023 12:48 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/ 8150 12-21-2023 12:48 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/Fbar.xvg 8425858 12-21-2023 11:57 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/G_hm.dat 4383612 12-21-2023 12:13 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/K.xvg 6242513 12-21-2023 11:57 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/M2_hm.dat 8427050 12-21-2023 11:57 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/M_hm.dat 87889 12-21-2023 12:05 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/Sanity_Check_Gbar.agr 11634 12-21-2023 12:35 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/find.xvg 14616 12-21-2023 11:43 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/forces_trimmed.xvg 14616 12-21-2023 11:44 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/g_bar_trimmed.xvg 12494 12-21-2023 11:57 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/indirect_Gbar_test.xvg 11634 12-21-2023 12:13 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/indirect_K_test.xvg 25346 12-21-2023 11:50 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/minkTlog_xy_whole_rdf.xvg 0 12-21-2023 11:43 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/original_files/ 14645 12-21-2023 11:43 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/original_files/f_forces.Pair_Interaction.total.DOXDOX.dat 14645 12-21-2023 11:43 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/original_files/g.Pair_Interaction.total.DOXDOX.dat 4766631 12-21-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/save.M.dat 4674969 12-21-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/less_dens/save.M2.dat 0 12-21-2023 20:56 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/ 8138 12-21-2023 12:51 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/Fbar.xvg 8405203 12-21-2023 11:57 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/G_hm.dat 4379272 12-21-2023 12:26 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/K.xvg 5391304 12-21-2023 20:56 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/K_with_r.xvg 6242506 12-21-2023 11:57 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/M2_hm.dat 8406378 12-21-2023 11:57 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/M_hm.dat 11632 12-21-2023 12:36 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/find.xvg 14616 12-21-2023 11:41 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/forces_trimmed.xvg 14616 12-21-2023 11:42 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/g_bar_trimmed.xvg 68590 12-21-2023 12:52 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/get_Fbar.agr 24166 12-21-2023 11:50 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/minkTlog_whole_rdf_96.xvg 0 12-21-2023 11:40 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/original/ 14674 12-21-2023 11:40 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/original/f_forces.Pair_Interaction.total.DOXDOX.dat 14674 12-21-2023 11:40 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/original/g.Pair_Interaction.total.DOXDOX.dat 4764560 12-21-2023 11:19 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/save.M.dat 4674969 12-21-2023 11:19 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/invert_K_and_solve/use_one_matrix/use_common_domain/statepoint_info_to_calculate_variations/ref_state/save.M2.dat 0 02-01-2024 13:44 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/scripts_used_to_analyze_FM_output/ 3151 12-21-2023 11:39 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/scripts_used_to_analyze_FM_output/AX_MULTIPLIER2.py 3698 02-01-2024 13:27 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/scripts_used_to_analyze_FM_output/AX_MULTIPLIER_FOR_G.py 2670 12-15-2023 12:36 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/scripts_used_to_analyze_FM_output/M_M2_to_G_hm.py 4447 02-01-2024 13:22 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/scripts_used_to_analyze_FM_output/MakeHeatMap.py 4525 02-01-2024 13:22 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/scripts_used_to_analyze_FM_output/SaveHeatMap.py 3242 02-01-2024 13:32 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/scripts_used_to_analyze_FM_output/get_K_from_Gbar.py 3613 02-01-2024 13:25 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/scripts_used_to_analyze_FM_output/make_Gbar_from_G_and_gbar.py 3415 02-01-2024 13:41 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/scripts_used_to_analyze_FM_output/make_Khat_and_Invert_to_Solve_for_dF.py 3737 12-21-2023 14:08 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/scripts_used_to_analyze_FM_output/make_Ktilde_and_Invert_to_Solve_for_dF.py 1307 12-21-2023 12:26 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/scripts_used_to_analyze_FM_output/subtract_two_files.py 0 02-01-2024 13:18 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/ 0 12-17-2023 23:07 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/ 4837 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/FM.out 8892571 12-16-2023 17:17 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/G_hm.dat 8853272 12-16-2023 17:19 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/G_hm_small.dat 4360984 12-16-2023 17:21 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/K.xvg 14616 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/L.Pair_Interaction.total.DOXDOX.dat 2682460 12-16-2023 17:17 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/M2_hm.dat 2667587 12-16-2023 17:19 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/M2_hm_small.dat 1636 12-16-2023 17:19 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/M_M2_to_G_hm.py 5351913 12-16-2023 17:17 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/M_hm.dat 5326694 12-16-2023 17:19 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/M_hm_small.dat 62101 12-16-2023 16:48 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/Math_to_obtain_gbar.agr 14616 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/b_forces.Pair_Interaction.total.DOXDOX.dat 14616 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/b_struct.Pair_Interaction.total.DOXDOX.dat 599 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/cg.btp 35369 12-15-2023 11:31 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dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/g.Pair_Interaction.total.DOXDOX.dat 14616 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/g_cnt.Pair_Interaction.total.DOXDOX.dat 7909 12-16-2023 16:48 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/gbar.xvg 7901 12-16-2023 17:21 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/gbar_no_zero.xvg 3207 12-16-2023 17:13 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/get_K_from_Gbar.py 72 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/inp.txt 69812 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/log.txt 7029909 12-16-2023 17:11 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/make_Gbar.xvg 3483 12-16-2023 17:10 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/make_Gbar_from_G_and_gbar.py 1484569484 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/mappedaa.trr 24645 12-17-2023 23:06 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/master_rdf.xvg 24250 12-17-2023 23:07 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/minkTlog_master_rdf.xvg 24407 12-17-2023 23:04 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/minkTlog_xymaster_rdf.xvg 911 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/out.total.txt 515 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/par.txt 23 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/save.FF.dat 6918572 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/save.G.dat 13319 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/save.L.dat 4763858 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/300_96/save.M.dat 4674969 12-15-2023 11:31 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11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/FM.out 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/L.Pair_Interaction.total.DOXDOX.dat 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/b_forces.Pair_Interaction.total.DOXDOX.dat 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/b_struct.Pair_Interaction.total.DOXDOX.dat 599 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/cg.btp 35354 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/dg_dz.total.Pair_Interaction.DOXDOX.dat 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/f_forces.Pair_Interaction.total.DOXDOX.dat 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/f_struct.Pair_Interaction.total.DOXDOX.dat 734 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/forcematch.sh 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/g.Pair_Interaction.total.DOXDOX.dat 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/g_cnt.Pair_Interaction.total.DOXDOX.dat 72 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/inp.txt 69834 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/log.txt --------- ------- 4753901949 283 files ===================================================== Content of ZIP archive dioxane-data-004.zip ===================================================== Archive: dioxane-data-004.zip Length Date Time Name --------- ---------- ----- ---- 1484569484 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/mappedaa.trr 911 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/out.total.txt 562 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/par.txt 23 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/320_96/save.FF.dat 6946065 12-15-2023 11:31 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11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/340_96/ 4837 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/340_96/FM.out 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/340_96/L.Pair_Interaction.total.DOXDOX.dat 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/340_96/b_forces.Pair_Interaction.total.DOXDOX.dat 14645 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/340_96/b_struct.Pair_Interaction.total.DOXDOX.dat 599 12-15-2023 11:31 dioxane-data/SI_Analysis/Redo_Forcematching_With_Delta_to_Check_YBG_Reasoning/temp_varies_analysis/340_96/cg.btp 35357 12-15-2023 11:31 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dioxane-data/SI_Analysis/quadratic_predicted_potentials/340/potential_E.dat 125847 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/340/press.dat 553450 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/340/press_tens.dat 535 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/340/psub.sh 681 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/340/rdf.sh 94278 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/340/state1.restart 94278 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/340/state2.restart 123383 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/340/temp.dat 123349 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/340/vdw_E.dat 123359 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/340/vol.dat 0 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/ 867 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/PVcurve.bw.0.25.dat 48929 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/bond_E.dat 2658 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/cgDOX.lmp 25287 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/cg_rdf.xvg 5499 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/clusterout.out 48929 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/coul_E.dat 33349 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/data.cgDOX 123375 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/enthalpy.dat 378056 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/iter6 123406 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/kinetic_E.dat 69939 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/log.cite 379926 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/log.lammps 17323240 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/outfile.xtc 123387 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/potential_E.dat 125967 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/press.dat 553536 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/press_tens.dat 535 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/psub.sh 681 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/rdf.sh 94278 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/state1.restart 94278 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/state2.restart 123394 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/temp.dat 123387 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/vdw_E.dat 123399 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/360/vol.dat 0 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/ 25480 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/#cg_rdf.xvg.1# 932 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/PVcurve.bw.0.25.dat 48929 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/bond_E.dat 2657 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/cgDOX.lmp 25489 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/cg_rdf.xvg 5550 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/clusterout.out 48929 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/coul_E.dat 33337 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/data.cgDOX 123392 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/enthalpy.dat 378060 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/iter6 123400 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/kinetic_E.dat 69986 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/log.cite 379929 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/log.lammps 17340748 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/outfile.xtc 128375 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/potential_E.dat 125866 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/press.dat 553478 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/press_tens.dat 535 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/psub.sh 681 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/rdf.sh 94278 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/state1.restart 94278 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/state2.restart 123352 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/temp.dat 128375 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/vdw_E.dat 123391 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/380/vol.dat 0 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/ 0 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/ 0 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/ 634 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/bond_E.dat 2657 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/cgDOX.lmp 24704 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/cg_rdf.xvg 24679 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/cg_rdf_pair_lin.xvg 5517 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/clusterout.out 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/data.cgDOX 123392 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/enthalpy.dat 378061 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/iter6 123375 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/kinetic_E.dat 69876 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/log.cite 379930 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/log.lammps 17285436 01-26-2024 19:40 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/outfile.xtc 123334 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/potential_E.dat 125974 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/press.dat 553420 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/press_tens.dat 77 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/psi.dat 535 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/psub.sh 681 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/rdf.sh 18540 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/rdf.tpr 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/state1.restart 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/state2.restart 123372 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/temp.dat 123334 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/vdw_E.dat 123363 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/300/vol.dat 0 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/ 713 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/bond_E.dat 2658 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/cgDOX.lmp 24886 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/cg_rdf.xvg 5556 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/clusterout.out 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/data.cgDOX 123376 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/enthalpy.dat 378064 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/iter6 123406 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/kinetic_E.dat 68833 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/log.cite 379934 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/log.lammps 17294768 01-26-2024 19:40 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/outfile.xtc 123398 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/potential_E.dat 125926 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/press.dat 553141 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/press_tens.dat 535 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/psub.sh 681 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/rdf.sh 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/state1.restart 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/state2.restart 123364 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/temp.dat 123398 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/vdw_E.dat 123439 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/320/vol.dat 0 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/ 25124 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/#cg_rdf.xvg.1# 836 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/bond_E.dat 2657 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/cgDOX.lmp 25115 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/cg_rdf.xvg 6066 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/clusterout.out 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/coul_E.dat 33341 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/data.cgDOX 123396 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/enthalpy.dat 378061 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/iter6 123372 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/kinetic_E.dat 69897 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/log.cite 379930 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/log.lammps 17308736 01-26-2024 19:40 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/outfile.xtc 123349 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/potential_E.dat 125847 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/press.dat 553450 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/press_tens.dat 535 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/psub.sh 681 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/rdf.sh 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/state1.restart 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/state2.restart 123383 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/temp.dat 123349 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/vdw_E.dat 123359 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/340/vol.dat 0 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/ 867 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/bond_E.dat 2658 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/cgDOX.lmp 25287 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/cg_rdf.xvg 5499 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/clusterout.out 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/coul_E.dat 33349 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/data.cgDOX 123375 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/enthalpy.dat 378056 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/iter6 123406 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/kinetic_E.dat 69939 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/log.cite 379926 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/log.lammps 17323240 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/outfile.xtc 123387 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/potential_E.dat 125967 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/press.dat 553536 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/press_tens.dat 535 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/psub.sh 681 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/rdf.sh 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/state1.restart 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/state2.restart 123394 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/temp.dat 123387 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/vdw_E.dat 123399 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/360/vol.dat 0 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/ 932 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/bond_E.dat 2657 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/cgDOX.lmp 25480 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/cg_rdf.xvg 5499 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/clusterout.out 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/coul_E.dat 33337 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/data.cgDOX 123392 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/enthalpy.dat 378060 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/iter6 123400 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/kinetic_E.dat 69986 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/log.cite 379929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/log.lammps 17340748 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/outfile.xtc 128375 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/potential_E.dat 125866 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/press.dat 553478 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/press_tens.dat 535 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/psub.sh 681 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/rdf.sh 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/state1.restart 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/state2.restart 123352 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/temp.dat 128375 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/vdw_E.dat 123391 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/attempt_1/380/vol.dat 0 01-26-2024 19:38 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/ 0 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/ 24704 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/#cg_rdf.xvg.1# 707 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/bond_E.dat 2657 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/cgDOX.lmp 24749 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/cg_rdf.xvg 24679 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/cg_rdf_pair_lin.xvg 5706 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/clusterout.out 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/data.cgDOX 123369 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/enthalpy.dat 378228 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/iter6 123403 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/kinetic_E.dat 68825 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/log.cite 379930 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/log.lammps 17280816 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/outfile.xtc 123316 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/potential_E.dat 125910 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/press.dat 553165 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/press_tens.dat 77 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/psi.dat 535 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/psub.sh 681 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/rdf.sh 18540 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/rdf.tpr 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/state1.restart 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/state2.restart 123393 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/temp.dat 123316 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/vdw_E.dat 123375 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/300/vol.dat 0 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/ 24886 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/#cg_rdf.xvg.1# 690 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/bond_E.dat 2658 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/cgDOX.lmp 24945 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/cg_rdf.xvg 5626 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/clusterout.out 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/data.cgDOX 123354 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/enthalpy.dat 378230 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/iter6 123358 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/kinetic_E.dat 68834 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/log.cite 379933 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/log.lammps 17287948 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/outfile.xtc 123412 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/potential_E.dat 125934 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/press.dat 553323 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/press_tens.dat 535 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/psub.sh 681 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/rdf.sh 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/state1.restart 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/state2.restart 123381 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/temp.dat 123412 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/vdw_E.dat 123369 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/320/vol.dat 0 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/ 25124 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/#cg_rdf.xvg.1# 25115 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/#cg_rdf.xvg.2# 815 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/bond_E.dat 2657 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/cgDOX.lmp 25182 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/cg_rdf.xvg 5619 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/clusterout.out 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/coul_E.dat 33341 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/data.cgDOX 123371 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/enthalpy.dat 378225 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/iter6 123389 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/kinetic_E.dat 68859 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/log.cite 379927 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/log.lammps 17297000 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/outfile.xtc 123410 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/potential_E.dat 125810 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/press.dat 553293 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/press_tens.dat 535 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/psub.sh 681 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/rdf.sh 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/state1.restart 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/state2.restart 123405 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/temp.dat 123410 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/vdw_E.dat 123387 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/340/vol.dat 0 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/ 25287 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/#cg_rdf.xvg.1# 847 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/bond_E.dat 2658 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/cgDOX.lmp 25339 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/cg_rdf.xvg 5860 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/clusterout.out 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/coul_E.dat 33349 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/data.cgDOX 123406 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/enthalpy.dat 378227 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/iter6 123401 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/kinetic_E.dat 68907 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/log.cite 379930 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/log.lammps 17300712 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/outfile.xtc 124067 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/potential_E.dat 125977 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/press.dat 553365 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/press_tens.dat 535 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/psub.sh 681 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/rdf.sh 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/state1.restart 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/state2.restart 123346 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/temp.dat 124067 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/vdw_E.dat 123357 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/360/vol.dat 0 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/ 25480 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/#cg_rdf.xvg.1# 967 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/PVcurve.bw.0.25.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/bond_E.dat 2657 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/cgDOX.lmp 25570 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/cg_rdf.xvg 5639 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/clusterout.out 48929 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/coul_E.dat 33337 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/data.cgDOX 124814 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/enthalpy.dat 378230 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/iter6 123359 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/kinetic_E.dat 68960 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/log.cite 379932 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/log.lammps 17313308 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/outfile.xtc 128366 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/potential_E.dat 125899 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/press.dat 553333 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/press_tens.dat 535 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/psub.sh 681 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/rdf.sh 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/state1.restart 94278 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/state2.restart 123378 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/temp.dat 128366 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/vdw_E.dat 123385 01-26-2024 19:41 dioxane-data/SI_Analysis/quadratic_predicted_potentials/do_extrapolation_the_correct_way/do_extrapolation_the_correct_way/380/vol.dat 0 01-28-2024 15:37 dioxane-data/SI_Analysis/rerun_1_bar_simulations/ 0 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/ 1140883 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/#PV.xvg.1# 12227467 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/#md.log.1# 6721116 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/#rerun.edr.1# 18540 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/#rerun.tpr.1# 743424780 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/#traj.trr.1# 8037 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/98_rerun 8153 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/CG_DOX_rerun.o39666215 1140803 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/PV.xvg 660370 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/PvV.xvg 481 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/cg_DOX.top 2236 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/cg_DOX_NPT.mdp 780840 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/cg_pressures.xvg 47313 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/cg_starting.gro 750832 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/cg_volumes.xvg 534 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/gromacs.sh 10304 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/index.ndx 1484569484 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/mappedaa.trr 12227450 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/md.log 12112 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/mdout.mdp 6721116 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/rerun.edr 564 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/rerun.sh 18236 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/rerun.tpr 122160 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/table_300.xvg 122160 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/table_DOX_DOX.xvg 743424780 01-26-2024 19:37 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300l/traj.trr 0 01-26-2024 19:38 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/ 0 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/ 12227467 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/#md.log.1# 6721116 01-26-2024 19:40 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/#rerun.edr.1# 18540 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/#rerun.tpr.1# 743424780 01-26-2024 19:39 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/#traj.trr.1# 8182 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/98_rerun 8153 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/CG_DOX_rerun.o39666215 1140827 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/PV.xv.xvg 1140883 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/PV.xvg 660370 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/PvV.xvg 481 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/cg_DOX.top 2236 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/cg_DOX_NPT.mdp 780840 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/cg_pressures.xvg 47313 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/cg_starting.gro 750832 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/cg_volumes.xvg 534 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/gromacs.sh 10304 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/index.ndx --------- ------- 5591434045 486 files ===================================================== Content of ZIP archive dioxane-data-006.zip ===================================================== Archive: dioxane-data-006.zip Length Date Time Name --------- ---------- ----- ---- 1484569484 01-26-2024 19:39 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/mappedaa.trr 12227463 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/md.log 12112 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/mdout.mdp 6721116 01-26-2024 19:40 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/rerun.edr 564 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/rerun.sh 18236 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/rerun.tpr 170432 01-26-2024 19:41 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/table_DOX_DOX.xvg 743424780 01-26-2024 19:40 dioxane-data/SI_Analysis/rerun_1_bar_simulations/300o/rerun/traj.trr 0 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dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/bond_E.dat 2661 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/cgDOX.lmp 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/cg_DOX.top 2236 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/cg_DOX_NPT.mdp 24637 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/cg_rdf.xvg 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/cg_starting.gro 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/data.cgDOX 123356 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/iter6 123395 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/log.cite 379931 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/log.txt 10987 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/mdout.mdp 17281360 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/outfile.xtc 123346 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/potential_E.dat 125966 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/press.dat 553387 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/psub.sh 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/rdf.tpr 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/state2.restart 123345 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/temp.dat 123346 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/vdw_E.dat 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/get_rdf/vol.dat 508 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/gocheck.sh 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/ 52 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/bond_E.dat 2663 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/cgDOX.lmp 780910 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/cg_pressures.xvg 750796 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/cg_volumes.xvg 599 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/config.ini 580 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/config.ini0 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/data.cgDOX 123389 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/g_cnt.dat 378057 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/iter0 123405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/log.cite 379932 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/log.lammps 79 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/log.txt 123357 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/potential_E.dat 125877 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/press.dat 553265 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/state2.restart 123309 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/temp.dat 123357 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/vdw_E.dat 123382 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter0/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/bond_E.dat 2663 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/data.cgDOX 123403 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/g_cnt.dat 378060 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/iter1 123398 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/log.cite 379935 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/log.txt 123375 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/potential_E.dat 125941 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/press.dat 553194 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/state2.restart 123406 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/temp.dat 123375 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/vdw_E.dat 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter1/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/bond_E.dat 2663 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/data.cgDOX 123328 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/iter2 123356 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/log.cite 379936 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/log.txt 123372 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/potential_E.dat 125904 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/press.dat 553271 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/state2.restart 123386 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/temp.dat 123372 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/vdw_E.dat 123395 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter2/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/bond_E.dat 2663 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/data.cgDOX 123345 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/iter3 123389 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/log.cite 379933 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/log.txt 123389 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/potential_E.dat 125946 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/press.dat 553335 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/state2.restart 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/temp.dat 123389 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/vdw_E.dat 123396 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter3/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/bond_E.dat 2663 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/data.cgDOX 123348 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/g_cnt.dat 378059 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/iter4 123400 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/log.cite 379934 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/log.txt 123384 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/potential_E.dat 125939 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/press.dat 553422 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/state2.restart 123387 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/temp.dat 123384 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/vdw_E.dat 123349 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter4/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/bond_E.dat 2663 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/data.cgDOX 123371 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/iter5 123411 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/log.cite 379933 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/log.txt 123380 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/potential_E.dat 125892 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/press.dat 553237 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/state2.restart 123355 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/temp.dat 123380 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/vdw_E.dat 123411 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter5/vol.dat 0 01-27-2024 14:08 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/bond_E.dat 2662 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/coul_E.dat 33358 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/data.cgDOX 123356 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/g_cnt.dat 378059 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/iter6 123395 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/log.cite 379933 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/log.txt 123346 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/potential_E.dat 125966 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/press.dat 553387 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/state2.restart 123345 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/temp.dat 123346 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/vdw_E.dat 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/iter6/vol.dat 67789 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/lammps_nb_DOXDOX.table 1088 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/pgo.sh 541 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/psub.sh 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/ 8002 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/98_rerun 1140968 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/PV_ref_potential.xvg 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/cg_DOX.top 2236 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/cg_DOX_NPT.mdp 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/cg_starting.gro 1484569484 01-26-2024 19:39 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/mappedaa.trr 12227468 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/md.log 12047 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/mdout.mdp 6721116 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/rerun.edr 564 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/rerun.sh 18236 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/rerun.tpr 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/table_DOX_DOX.xvg 743424780 01-26-2024 19:39 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/300/rerun/traj.trr 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/ 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/Analysis/ 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/Analysis/6/ 399 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/Analysis/6/CG6distro.xvg 1328 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/Analysis/6/PVcurve.bw.0.1.dat 762795 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/aa_pressures.xvg 750836 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/aa_volumes.xvg 2659 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/cgDOX.lmp 591 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/config.ini 580 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/config.ini0 33325 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/data.cgDOX 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/bond_E.dat 2670 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/cgDOX.lmp 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/cg_DOX.top 2250 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/cg_DOX_NPT.mdp 24635 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/cg_rdf.xvg 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/data.cgDOX 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/iter6 123384 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/log.cite 379940 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/log.txt 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/mappedaa.gro 10999 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/mdout.mdp 17284996 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/outfile.xtc 123380 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/potential_E.dat 123422 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/press.dat 553255 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/psub.sh 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/rdf.tpr 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/state2.restart 123398 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/temp.dat 123380 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/vdw_E.dat 123325 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/get_rdf/vol.dat 508 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/gocheck.sh 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/ 50 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/cgDOX.lmp 781349 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/cg_pressures.xvg 750808 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/cg_volumes.xvg 599 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/config.ini 580 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/config.ini0 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/data.cgDOX 123413 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/g_cnt.dat 378056 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/iter0 123368 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/log.cite 379939 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/log.lammps 79 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/log.txt 123388 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/potential_E.dat 123346 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/press.dat 553466 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/state2.restart 123381 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/temp.dat 123388 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/vdw_E.dat 123383 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter0/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/data.cgDOX 123403 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/iter1 123387 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/log.cite 379941 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/log.txt 123346 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/potential_E.dat 123350 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/press.dat 553387 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/state2.restart 123354 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/temp.dat 123346 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/vdw_E.dat 123361 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter1/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/data.cgDOX 123329 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/iter2 123385 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/log.cite 379944 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/log.txt 123367 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/potential_E.dat 123406 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/press.dat 553345 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/state2.restart 123318 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/temp.dat 123367 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/vdw_E.dat 123320 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter2/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/data.cgDOX 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/g_cnt.dat 378060 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/iter3 123391 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/log.cite 379943 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/log.txt 123372 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/potential_E.dat 123403 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/press.dat 553432 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/state2.restart 123407 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/temp.dat 123372 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/vdw_E.dat 123387 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter3/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/data.cgDOX 123411 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/iter4 123403 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/log.cite 379941 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/log.txt 123393 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/potential_E.dat 123352 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/press.dat 553501 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/state2.restart 123364 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/temp.dat 123393 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/vdw_E.dat 123395 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter4/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/data.cgDOX 123350 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/g_cnt.dat 378060 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/iter5 123375 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/log.cite 379943 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/log.txt 123358 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/potential_E.dat 123352 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/press.dat 553278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/state2.restart 123366 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/temp.dat 123358 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/vdw_E.dat 123347 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter5/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/data.cgDOX 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/iter6 123384 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/log.cite 379941 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/log.txt 123380 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/potential_E.dat 123422 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/press.dat 553255 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/state2.restart 123398 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/temp.dat 123380 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/vdw_E.dat 123325 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/iter6/vol.dat 67789 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/lammps_nb_DOXDOX.table 1088 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/pgo.sh 541 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/psub.sh 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/ 7953 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/98_rerun 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/cg_DOX.top 2250 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/cg_DOX_NPT.mdp 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/mappedaa.gro 1484569484 01-26-2024 19:39 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/mappedaa.trr 12230365 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/md.log 12059 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/mdout.mdp 6721116 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/rerun.edr 564 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/rerun.sh 18236 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/rerun.tpr 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/table_DOX_DOX.xvg 743424780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/320/rerun/traj.trr 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/ 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/Analysis/ 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/Analysis/6/ 399 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/Analysis/6/CG6distro.xvg 1482 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/Analysis/6/PVcurve.bw.0.1.dat 764843 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/aa_pressures.xvg 750844 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/aa_volumes.xvg 2658 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/cgDOX.lmp 591 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/config.ini 580 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/config.ini0 33333 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/data.cgDOX 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/ 24717 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/#cg_rdf.xvg.1# 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/bond_E.dat 2669 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/cgDOX.lmp 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/cg_DOX.top 2250 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/cg_DOX_NPT.mdp 24740 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/cg_rdf.xvg 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/coul_E.dat 33333 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/data.cgDOX 123356 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/g_cnt.dat 378060 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/iter6 123378 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/log.cite 379941 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/log.txt 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/mappedaa.gro 10998 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/mdout.mdp 17287344 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/outfile.xtc 123360 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/potential_E.dat 123361 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/press.dat 553236 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/psub.sh 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/rdf.tpr 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/state2.restart 123418 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/temp.dat 123360 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/vdw_E.dat 123400 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/get_rdf/vol.dat 508 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/gocheck.sh 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/ 50 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/bond_E.dat 2670 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/cgDOX.lmp 781385 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/cg_pressures.xvg 750800 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/cg_volumes.xvg 599 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/config.ini 580 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/config.ini0 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/coul_E.dat 33333 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/data.cgDOX 123392 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/g_cnt.dat 378059 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/iter0 123365 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/log.cite 379941 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/log.lammps 79 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/log.txt 123368 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/potential_E.dat 123354 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/press.dat 553293 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/state2.restart 123387 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/temp.dat 123368 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/vdw_E.dat 123388 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter0/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/bond_E.dat 2670 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/coul_E.dat 33333 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/data.cgDOX 123377 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/g_cnt.dat 378055 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/iter1 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/log.cite 379937 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/log.txt 123377 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/potential_E.dat 123390 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/press.dat 553398 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/state2.restart 123395 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/temp.dat 123377 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/vdw_E.dat 123386 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter1/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/bond_E.dat 2670 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/coul_E.dat 33333 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/data.cgDOX 123389 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/iter2 123385 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/log.cite 379943 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/log.txt 123397 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/potential_E.dat 123392 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/press.dat 553390 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/state2.restart 123383 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/temp.dat 123397 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/vdw_E.dat 123361 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter2/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/bond_E.dat 2670 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/coul_E.dat 33333 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/data.cgDOX 123371 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/g_cnt.dat 378059 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/iter3 123423 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/log.cite 379941 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/log.txt 123339 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/potential_E.dat 123357 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/press.dat 553300 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/state2.restart 123377 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/temp.dat 123339 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/vdw_E.dat 123375 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter3/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/bond_E.dat 2670 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/coul_E.dat 33333 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/data.cgDOX 123363 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/g_cnt.dat 378059 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/iter4 123333 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/log.cite 379941 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/log.txt 123355 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/potential_E.dat 123333 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/press.dat 553353 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/state2.restart 123386 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/temp.dat 123355 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/vdw_E.dat 123405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter4/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/bond_E.dat 2670 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/coul_E.dat 33333 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/data.cgDOX 123381 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/iter5 123345 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/log.cite 379940 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/log.txt 123456 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/potential_E.dat 123432 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/press.dat 553134 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/state2.restart 123382 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/temp.dat 123456 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/vdw_E.dat 123427 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter5/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/bond_E.dat 2670 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/coul_E.dat 33333 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/data.cgDOX 123356 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/iter6 123378 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/log.cite 379943 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/log.txt 123360 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/potential_E.dat 123361 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/press.dat 553236 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/state2.restart 123418 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/temp.dat 123360 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/vdw_E.dat 123400 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/iter6/vol.dat 67789 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/lammps_nb_DOXDOX.table 1088 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/pgo.sh 541 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/psub.sh 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/ 8007 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/98_rerun 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/cg_DOX.top 2250 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/cg_DOX_NPT.mdp 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/mappedaa.gro --------- ------- 5363497893 800 files ===================================================== Content of ZIP archive dioxane-data-012.zip ===================================================== Archive: dioxane-data-012.zip Length Date Time Name --------- ---------- ----- ---- 1484569484 01-26-2024 19:39 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/mappedaa.trr 12230592 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/md.log 12058 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/mdout.mdp 6721116 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/rerun.edr 564 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/rerun.sh 18236 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/rerun.tpr 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/table_DOX_DOX.xvg 743424780 01-26-2024 19:39 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/340/rerun/traj.trr 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/ 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/Analysis/ 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/Analysis/6/ 399 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/Analysis/6/CG6distro.xvg 1638 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/Analysis/6/PVcurve.bw.0.1.dat 769928 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/aa_pressures.xvg 750832 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/aa_volumes.xvg 2660 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/cgDOX.lmp 591 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/config.ini 580 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/config.ini0 33331 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/data.cgDOX 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/cgDOX.lmp 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/cg_DOX.top 2251 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/cg_DOX_NPT.mdp 24651 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/cg_rdf.xvg 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/coul_E.dat 33331 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/data.cgDOX 123409 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/g_cnt.dat 378060 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/iter6 123347 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/log.cite 379943 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/log.txt 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/mappedaa.gro 10999 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/mdout.mdp 17284524 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/outfile.xtc 123332 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/potential_E.dat 123336 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/press.dat 553334 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/psub.sh 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/rdf.tpr 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/state2.restart 123400 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/temp.dat 123332 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/vdw_E.dat 123393 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/get_rdf/vol.dat 508 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/gocheck.sh 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/ 52 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/bond_E.dat 2672 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/cgDOX.lmp 781661 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/cg_pressures.xvg 750802 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/cg_volumes.xvg 599 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/config.ini 580 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/config.ini0 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/coul_E.dat 33331 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/data.cgDOX 123379 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/iter0 123381 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/log.cite 379945 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/log.lammps 79 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/log.txt 123367 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/potential_E.dat 123338 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/press.dat 553288 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/state2.restart 123360 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/temp.dat 123367 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/vdw_E.dat 123341 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter0/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/bond_E.dat 2672 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/coul_E.dat 33331 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/data.cgDOX 123361 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/iter1 123362 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/log.cite 379945 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/log.txt 123378 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/potential_E.dat 123387 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/press.dat 553164 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/state2.restart 123345 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/temp.dat 123378 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/vdw_E.dat 123387 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter1/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/coul_E.dat 33331 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/data.cgDOX 123388 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/iter2 123336 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/log.cite 379941 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/log.txt 123378 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/potential_E.dat 123342 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/press.dat 553253 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/state2.restart 123369 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/temp.dat 123378 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/vdw_E.dat 123412 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter2/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/bond_E.dat 2672 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/coul_E.dat 33331 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/data.cgDOX 123410 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/iter3 123383 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/log.cite 379945 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/log.txt 123377 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/potential_E.dat 123408 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/press.dat 553190 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/state2.restart 123337 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/temp.dat 123377 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/vdw_E.dat 123395 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter3/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/coul_E.dat 33331 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/data.cgDOX 123389 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/iter4 123339 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/log.cite 379944 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/log.txt 123360 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/potential_E.dat 123416 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/press.dat 553323 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/state2.restart 123356 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/temp.dat 123360 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/vdw_E.dat 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter4/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/bond_E.dat 2672 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/coul_E.dat 33331 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/data.cgDOX 123388 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/g_cnt.dat 378059 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/iter5 123358 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/log.cite 379943 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/log.txt 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/potential_E.dat 123363 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/press.dat 553276 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/state2.restart 123406 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/temp.dat 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/vdw_E.dat 123325 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter5/vol.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/bond_E.dat 2672 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/coul_E.dat 33331 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/data.cgDOX 123409 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/iter6 123347 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/log.cite 379945 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/log.txt 123332 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/potential_E.dat 123336 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/press.dat 553334 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/state2.restart 123400 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/temp.dat 123332 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/vdw_E.dat 123393 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/iter6/vol.dat 67789 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/lammps_nb_DOXDOX.table 1088 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/pgo.sh 541 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/psub.sh 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/ 7816 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/98_rerun 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/cg_DOX.top 2251 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/cg_DOX_NPT.mdp 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/mappedaa.gro 1484569484 01-26-2024 19:39 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/mappedaa.trr 12230537 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/md.log 12059 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/mdout.mdp 6721116 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/rerun.edr 564 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/rerun.sh 18236 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/rerun.tpr 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/table_DOX_DOX.xvg 743424780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/360/rerun/traj.trr 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/ 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/Analysis/ 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/Analysis/iter6/ 399 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/Analysis/iter6/CG6distro.xvg 1072 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/Analysis/iter6/PVcurve.bw.0.1.dat 591 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/config.ini 580 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/config.ini0 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/cgDOX.lmp 24579 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/cgRDF.xvg 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/coul_E.dat 33329 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/data.cgDOX 123368 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/iter4 378752 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/iter6.o40778833 123341 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/log.cite 379944 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/log.txt 17287672 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/outfile.xtc 123369 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/potential_E.dat 123360 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/press.dat 553219 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/psi.dat 542 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/psub.sh 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/rdf.tpr 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/state2.restart 123374 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/temp.dat 123369 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/vdw_E.dat 123354 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/get_rdf/vol.dat 508 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/gocheck.sh 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/ 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/bond_E.dat 2672 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/coul_E.dat 33329 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/data.cgDOX 123368 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/g_cnt.dat 378752 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/iter6.o40778833 123365 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/log.cite 379943 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/log.txt 123412 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/potential_E.dat 123397 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/press.dat 553249 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/psi.dat 664 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/psub.sh 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/state2.restart 123395 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/temp.dat 123412 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/vdw_E.dat 123379 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/iter6/vol.dat 1088 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/pgo.sh 541 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/psub.sh 130 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/380_which_is_the_original/this_folder_contains_ref.txt 665 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/noteaboutthisfolder.txt 0 01-27-2024 15:21 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/pressure_corrections/ 109812 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/pressure_corrections/300_96.txt 110415 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/pressure_corrections/320_96.txt 102022 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/pressure_corrections/340_96.txt 114463 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/pressure_corrections/360_96.txt 108018 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/pressure_corrections/380_96.txt 343 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/pressure_corrections/state_point_info.txt 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/rdf_results_transfer_to_ACI/ 24637 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/rdf_results_transfer_to_ACI/300_rdf.xvg 24635 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/rdf_results_transfer_to_ACI/320_rdf.xvg 24740 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/rdf_results_transfer_to_ACI/340_rdf.xvg 24651 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/rdf_results_transfer_to_ACI/360_rdf.xvg 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/ 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/300/ 399 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/300/CG6distro.xvg 1742 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/300/PVcurve.bw.0.1.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/320/ 399 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/320/CG6distro.xvg 1328 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/320/PVcurve.bw.0.1.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/340/ 399 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/340/CG6distro.xvg 1482 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/340/PVcurve.bw.0.1.dat 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/360/ 399 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/360/CG6distro.xvg 1638 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/results_transfer_to_ACI/360/PVcurve.bw.0.1.dat 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/root_potential_info/ 67789 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/root_potential_info/lammps_nb_DOXDOX.table 123 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/root_potential_info/note_380_96 170419 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NPT_version_of_Experiment/root_potential_info/table_DOX_DOX.xvg 0 01-28-2024 16:32 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/ 0 01-28-2024 16:31 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/ 0 09-25-2023 08:46 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/101asref/ 0 09-25-2023 09:19 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/101asref/101o/ 25023 09-25-2023 09:19 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/101asref/101o/cg_rdf.xvg 0 09-25-2023 09:19 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/101asref/103/ 25274 09-25-2023 09:19 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/101asref/103/cg_rdf.xvg 0 09-25-2023 09:19 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/101asref/106/ 25505 09-25-2023 09:20 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/101asref/106/cg_rdf.xvg 0 09-25-2023 09:01 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/101asref/96/ 24700 09-25-2023 09:19 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/101asref/96/cg_rdf.xvg 0 09-25-2023 09:19 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/101asref/98/ 24883 09-25-2023 09:19 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/101asref/98/cg_rdf.xvg 0 09-25-2023 08:46 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/103asref/ 0 09-25-2023 09:20 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/103asref/101/ 25016 09-25-2023 09:20 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/103asref/101/cg_rdf.xvg 0 09-25-2023 09:21 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/103asref/103o/ 25281 09-25-2023 09:21 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/103asref/103o/cg_rdf.xvg 0 09-26-2023 19:53 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/103asref/106/ 25522 09-26-2023 19:53 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/103asref/106/cg_rdf.xvg 0 09-25-2023 09:20 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/103asref/96/ 24690 09-25-2023 09:20 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/103asref/96/cg_rdf.xvg 0 09-25-2023 09:20 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/103asref/98/ 24883 09-25-2023 09:20 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/103asref/98/cg_rdf.xvg 0 09-25-2023 08:47 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/106asref/ 0 09-25-2023 08:53 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/106asref/101/ 25013 09-25-2023 08:53 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/106asref/101/cg_rdf.xvg 0 09-25-2023 08:53 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/106asref/103/ 25277 09-25-2023 08:53 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/106asref/103/cg_rdf.xvg 0 09-25-2023 08:53 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/106asref/106o/ 25492 09-25-2023 08:53 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/106asref/106o/cg_rdf.xvg 0 09-25-2023 08:53 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/106asref/96/ 90159 09-25-2023 09:44 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/106asref/96/cg_rdf.xvg 0 09-25-2023 08:53 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/106asref/98/ 24883 09-25-2023 08:53 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/106asref/98/cg_rdf.xvg 0 09-25-2023 08:45 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/96asref/ 0 09-25-2023 08:52 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/96asref/101/ 25011 09-25-2023 08:52 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/96asref/101/cg_rdf.xvg 0 09-25-2023 08:52 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/96asref/103/ 25282 09-25-2023 08:52 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/96asref/103/cg_rdf.xvg 0 09-25-2023 08:52 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/96asref/106/ 25485 09-25-2023 08:52 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/96asref/106/cg_rdf.xvg 0 09-25-2023 08:51 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/96asref/96o/ 24660 09-25-2023 08:51 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/96asref/96o/cg_rdf.xvg 0 09-25-2023 08:52 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/96asref/98/ 24888 09-25-2023 08:52 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/96asref/98/cg_rdf.xvg 0 09-25-2023 08:46 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/98asref/ 0 09-25-2023 08:59 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/98asref/101/ 25036 09-25-2023 09:17 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/98asref/101/cg_rdf.xvg 0 09-25-2023 09:00 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/98asref/103/ 25264 09-25-2023 09:17 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/98asref/103/cg_rdf.xvg 0 09-25-2023 09:01 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/98asref/106/ 25503 09-25-2023 09:17 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/98asref/106/cg_rdf.xvg 0 09-25-2023 08:55 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/98asref/96/ 24663 09-25-2023 09:14 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/98asref/96/cg_rdf.xvg 0 09-25-2023 08:59 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/98asref/98o/ 24895 09-25-2023 09:18 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/98asref/98o/cg_rdf.xvg 0 09-25-2023 09:31 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/aa/ 0 09-25-2023 09:36 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/aa/101/ 24696 09-25-2023 09:36 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/aa/101/whole_rdf.xvg 0 09-25-2023 09:36 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/aa/103/ 24713 09-25-2023 09:36 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/aa/103/whole_rdf.xvg 0 09-25-2023 09:36 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/aa/106/ 25501 09-25-2023 09:36 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/aa/106/whole_rdf.xvg 0 09-25-2023 09:39 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/aa/96/ 24668 09-25-2023 09:39 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/aa/96/whole_rdf.xvg 0 09-25-2023 09:35 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/aa/98/ 24698 09-25-2023 09:35 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/all_varied_density_rdfs_collected/aa/98/whole_rdf.xvg 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/ 25485 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/.xvg 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_106/ 25013 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_106/101_rdf.xvg 25277 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_106/103_rdf.xvg 25492 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_106/106_rdf.xvg 24681 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_106/96_rdf.xvg 24883 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_106/98_rdf.xvg 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_300/ 24652 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_300/300_rdf.xvg 24657 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_300/320_rdf.xvg 24680 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_300/340_rdf.xvg 24661 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_300/360_rdf.xvg 24658 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_300/380_rdf.xvg 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_380/ 24642 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_380/300_rdf.xvg 24657 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_380/320_rdf.xvg 24670 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_380/340_rdf.xvg 24674 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_380/360_rdf.xvg 24660 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_380/380_rdf.xvg 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_96/ 25485 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_96/$i_rdf.xvg 25011 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_96/101_rdf.xvg 25282 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/cg_rdfs_to_move_to_aci/use_ref_from_96/103_rdf.xvg 25485 01-26-2024 19:38 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19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/101o/#ener.edr.2# 362714 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/101o/#md.log.1# 2609112 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/101o/#md.log.2# 22921500 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/101o/#traj.trr.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/101o/#traj.trr.2# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/101o/cg.tpr 481 01-26-2024 19:41 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dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/101o/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/101o/state_prev.cpt 170444 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/101o/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/101o/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/#cg.tpr.1# 25277 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/#cg_rdf.xvg.1# 25293 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/#confout.gro.1# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/#confout.gro.2# 407860 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/#ener.edr.1# 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/#ener.edr.2# 372551 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/#md.log.1# 2609836 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/#md.log.2# 24036600 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/#traj.trr.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/#traj.trr.2# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/cg_DOX_NVT.mdp 25274 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/cg_rdf.xvg 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/cg_rockfish.sh 5611 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/confout.gro 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/ener.edr 47313 01-26-2024 19:41 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dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/state_prev.cpt 170444 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/103/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#cg.tpr.1# 25492 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#cg_rdf.xvg.1# 25473 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#confout.gro.1# 438520 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#ener.edr.1# 21460 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#ener.edr.2# 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#ener.edr.3# 416173 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#md.log.1# 32872 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#md.log.2# 2610529 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#md.log.3# 25845540 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#traj.trr.1# 1239000 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#traj.trr.2# --------- ------- 5526115136 547 files ===================================================== Content of ZIP archive dioxane-data-013.zip ===================================================== Archive: dioxane-data-013.zip Length Date Time Name --------- ---------- ----- ---- 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/#traj.trr.3# 1894 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/cg.mdp 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/cg_DOX.top 25505 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/cg_rdf.xvg 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/cg_rockfish.sh 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/cg_startingNVT.gro 5655 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/confout.gro 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/ener.edr 2613439 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/md.log 10987 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/state_prev.cpt 170444 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/106/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/ 24681 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/#cg_rdf.xvg.1# 24679 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/#confout.gro.1# 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/#ener.edr.1# 2610162 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/#md.log.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/#traj.trr.1# 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/CG_NVT_start.gro 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/cg_DOX_NVT.mdp 24700 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/cg_rdf.xvg 665 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/cg_rockfish.sh 5689 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/confout.gro 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/ener.edr 509 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/gromacs.sh 2624267 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/md.log 10992 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/state_prev.cpt 170444 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/96/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/ 24883 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/#cg_rdf.xvg.1# 24883 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/#confout.gro.1# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/#confout.gro.2# 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/#ener.edr.1# 2610711 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/#md.log.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/#traj.trr.1# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/cg_DOX_NVT.mdp 24883 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/cg_rdf.xvg 665 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/cg_rockfish.sh 5603 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/ener.edr 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/mapped_NVT_start.gro 2610836 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/md.log 10996 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/state_prev.cpt 170444 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/table_DOX_DOX.xvg 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/topol.tpr 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/98/traj.trr 170444 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_101/table_DOX_DOX.xvg 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/ 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/#cg.tpr.1# 25013 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/#cg_rdf.xvg.1# 25011 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/#confout.gro.1# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/#confout.gro.2# 388960 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/#ener.edr.1# 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/#ener.edr.2# 362714 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/#md.log.1# 2609112 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/#md.log.2# 22921500 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/#traj.trr.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/#traj.trr.2# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/cg_DOX.top 2240 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/cg_DOX_NVT.mdp 25016 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/cg_rdf.xvg 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/cg_rockfish.sh 5663 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/ener.edr 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/mapped_NVT_start.gro 2626523 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/md.log 10997 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/state.cpt 17536 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/state_prev.cpt 170492 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/101/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/#cg.tpr.1# 25277 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/#cg_rdf.xvg.1# 25279 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/#confout.gro.1# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/#confout.gro.2# 407860 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/#ener.edr.1# 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/#ener.edr.2# 372551 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/#md.log.1# 2609836 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/#md.log.2# 24036600 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/#traj.trr.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/#traj.trr.2# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/cg_DOX_NVT.mdp 25281 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/cg_rdf.xvg 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/cg_rockfish.sh 5608 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/ener.edr 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/mapped_NVT_start.gro 2638518 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/md.log 10997 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/state_prev.cpt 170492 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/103o/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#cg.tpr.1# 25492 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#cg_rdf.xvg.1# 438520 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#ener.edr.1# 21460 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#ener.edr.2# 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#ener.edr.3# 21040 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#ener.edr.4# 416173 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#md.log.1# 32872 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#md.log.2# 2610529 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#md.log.3# 32565 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#md.log.4# 25845540 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#traj.trr.1# 1239000 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#traj.trr.2# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#traj.trr.3# 1214220 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/#traj.trr.4# 1894 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/cg.mdp 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/cg_DOX.top 25487 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/cg_rdf.xvg 668 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/cg_rockfish.sh 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/cg_startingNVT.gro 3917 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/confout.gro 39100 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/ener.edr 48414 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/md.log 10987 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/prod_traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/ 13633 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/#md.log.1# 13633 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/#md.log.2# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/cg.tpr 665 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/cg_rockfish.sh 3281 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/clusterout.out 759820 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/ener.edr 745189 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/md.log 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/cg.tpr 25522 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/cg_rdf.xvg 665 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/cg_rockfish.sh 5583 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/ener.edr 2608629 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/md.log 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/state.cpt 17536 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/state_prev.cpt 170492 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/race_w_12/traj.trr 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/state_prev.cpt 16384 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/state_step1807288.cpt 170492 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/table_DOX_DOX.xvg 44802240 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/race_w_48/traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/state_prev.cpt 170492 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/table_DOX_DOX.xvg 2279760 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/106/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/ 24681 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/#cg_rdf.xvg.1# 24673 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/#confout.gro.1# 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/#ener.edr.1# 2610162 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/#md.log.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/#traj.trr.1# 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/CG_NVT_start.gro 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/cg_DOX_NVT.mdp 24690 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/cg_rdf.xvg 665 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/cg_rockfish.sh 5646 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/ener.edr 509 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/gromacs.sh 2615719 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/md.log 10992 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/state_prev.cpt 170492 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/96/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/ 24883 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/#cg_rdf.xvg.1# 24893 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/#confout.gro.1# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/#confout.gro.2# 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/#ener.edr.1# 2610711 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/#md.log.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/#traj.trr.1# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/cg_DOX_NVT.mdp 24883 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/cg_rdf.xvg 665 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/cg_rockfish.sh 5624 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/ener.edr 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/mapped_NVT_start.gro 2615510 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/md.log 10996 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/state_prev.cpt 170492 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/table_DOX_DOX.xvg 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/topol.tpr 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/98/traj.trr 170492 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/99 170492 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_103/table_DOX_DOX.xvg 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/ 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/#cg.tpr.1# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/#confout.gro.1# 388960 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/#ener.edr.1# 362714 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/#md.log.1# 22921500 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/#traj.trr.1# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/cg_DOX.top 2240 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/cg_DOX_NVT.mdp 25013 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/cg_rdf.xvg 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/cg_rockfish.sh 5521 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/confout.gro 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/ener.edr 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/mapped_NVT_start.gro 2609112 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/md.log 10997 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/state_prev.cpt 170555 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/101/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/#cg.tpr.1# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/#confout.gro.1# 407860 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/#ener.edr.1# 372551 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/#md.log.1# 24036600 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/#traj.trr.1# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/cg_DOX_NVT.mdp 25277 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/cg_rdf.xvg 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/cg_rockfish.sh 5496 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/ener.edr 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/mapped_NVT_start.gro 2609836 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/md.log 10997 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/state_prev.cpt 170555 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/103/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/#cg.tpr.1# 438520 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/#ener.edr.1# 21460 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/#ener.edr.2# 416173 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/#md.log.1# 32872 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/#md.log.2# 25845540 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/#traj.trr.1# 1239000 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/#traj.trr.2# 1894 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/cg.mdp 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/cg_DOX.top 25492 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/cg_rdf.xvg 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/cg_rockfish.sh 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/cg_startingNVT.gro 5450 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/ener.edr 2610529 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/md.log 10987 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/state_prev.cpt 170555 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/106/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/96/ 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/96/CG_NVT_start.gro 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/96/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/96/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/96/cg_DOX_NVT.mdp 24681 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/96/cg_rdf.xvg 665 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/96/cg_rockfish.sh 5474 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/96/clusterout.out 47310 01-26-2024 19:41 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dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/98/#confout.gro.1# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/98/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/98/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/98/cg_DOX_NVT.mdp 24883 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/98/cg_rdf.xvg 665 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_106/98/cg_rockfish.sh 5466 01-26-2024 19:41 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dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/103/table_DOX_DOX.xvg --------- ------- 5393301481 393 files ===================================================== Content of ZIP archive dioxane-data-014.zip ===================================================== Archive: dioxane-data-014.zip Length Date Time Name --------- ---------- ----- ---- 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/103/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/106/ 1894 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/106/cg.mdp 18540 01-26-2024 19:41 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dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/106/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/106/state_prev.cpt 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/106/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/106/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/ 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/CG_NVT_start.gro 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/cg_DOX_NVT.mdp 24660 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/cg_rdf.xvg 5463 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/confout.gro 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/ener.edr 664 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/gromacs.sh 2631218 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/md.log 10991 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/mdout.mdp 82816560 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/state_prev.cpt 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/96/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/ 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/#confout.gro.1# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/#confout.gro.2# 17260 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/#ener.edr.1# 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/#ener.edr.2# 29252 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/#md.log.1# 2609540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/#md.log.2# 991200 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/#traj.trr.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/#traj.trr.2# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/cg_DOX_NVT.mdp 24888 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/cg_rdf.xvg 5444 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/confout.gro 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/ener.edr 664 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/gromacs.sh 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/mapped_NVT_start.gro 2609542 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/md.log 10995 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/mdout.mdp 82816560 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/state_prev.cpt 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/98/traj.trr 170419 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_96/table_DOX_DOX.xvg 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/ 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/#cg.tpr.1# 25013 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/#cg_rdf.xvg.1# 24979 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/#confout.gro.1# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/#confout.gro.2# 388960 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/#ener.edr.1# 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/#ener.edr.2# 362714 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/#md.log.1# 2609112 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/#md.log.2# 22921500 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/#traj.trr.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/#traj.trr.2# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/cg_DOX.top 2240 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/cg_DOX_NVT.mdp 25036 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/cg_rdf.xvg 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/cg_rockfish.sh 5608 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/confout.gro 2940880 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/ener.edr 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/mapped_NVT_start.gro 2609165 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/md.log 10997 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/mdout.mdp 82816560 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/state_prev.cpt 170429 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/101/traj.trr 0 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/#cg.tpr.1# 25277 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/#cg_rdf.xvg.1# 25282 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/#confout.gro.1# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/#confout.gro.2# 407860 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/#ener.edr.1# 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/#ener.edr.2# 372551 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/#md.log.1# 2609836 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/#md.log.2# 24036600 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/#traj.trr.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/#traj.trr.2# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/cg_DOX_NVT.mdp 25264 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/cg_rdf.xvg 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/cg_rockfish.sh 5624 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/ener.edr 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/mapped_NVT_start.gro 2689559 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/md.log 10997 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/mdout.mdp 82816560 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/state_prev.cpt 170429 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/103/traj.trr 0 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#cg.tpr.1# 25492 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#cg_rdf.xvg.1# 25488 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#confout.gro.1# 438520 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#ener.edr.1# 21460 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#ener.edr.2# 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#ener.edr.3# 416173 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#md.log.1# 32872 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#md.log.2# 2610529 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#md.log.3# 25845540 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#traj.trr.1# 1239000 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#traj.trr.2# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/#traj.trr.3# 1894 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/cg.mdp 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/cg_DOX.top 25503 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/cg_rdf.xvg 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/cg_rockfish.sh 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/cg_startingNVT.gro 5803 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/ener.edr 2608687 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/md.log 10987 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/mdout.mdp 82816560 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/state.cpt 17536 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/state_prev.cpt 170429 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/106/traj.trr 0 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/ 24681 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/#cg_rdf.xvg.1# 24666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/#cg_rdf.xvg.2# 24653 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/#cg_rdf.xvg.3# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/#confout.gro.1# 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/#ener.edr.1# 2610162 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/#md.log.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/#traj.trr.1# 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/CG_NVT_start.gro 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/cg_DOX_NVT.mdp 24663 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/cg_rdf.xvg 665 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/cg_rockfish.sh 5993 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/ener.edr 509 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/gromacs.sh 2755308 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/md.log 10992 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/mdout.mdp 82816560 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/state_prev.cpt 170429 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/96/traj.trr 0 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/ 24883 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/#cg_rdf.xvg.1# 24884 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/#cg_rdf.xvg.2# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/#confout.gro.1# 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/#confout.gro.2# 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/#ener.edr.1# 2610711 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/#md.log.1# 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/#traj.trr.1# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/cg.tpr 481 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/cg_DOX.top 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/cg_DOX_NVT.mdp 24895 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/cg_rdf.xvg 665 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/cg_rockfish.sh 5669 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/ener.edr 47313 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/mapped_NVT_start.gro 2631193 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/md.log 10996 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/mdout.mdp 82816560 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/prod_traj.trr 759 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/state_prev.cpt 170429 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/table_DOX_DOX.xvg 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/topol.tpr 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/98o/traj.trr 170429 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/temp_fixed_at_380/use_ref_from_98/table_DOX_DOX.xvg 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/ 47313 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/CG_NVT_start.gro 481 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/cg_DOX.top 2241 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/cg_DOX_NVT.mdp 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/ 0 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/cg.tpr 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/cg_DOX_NVT.mdp 24652 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/cg_rdf.xvg 5447 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/ener.edr 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/gromacs.sh 2608953 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/md.log 11003 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/mdout.mdp 82816560 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/state_prev.cpt 170432 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/300/traj.trr 0 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/cg.tpr 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/cg_DOX_NVT.mdp 24657 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/cg_rdf.xvg 5466 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/ener.edr 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/gromacs.sh 2609567 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/md.log 11003 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/mdout.mdp 82816560 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/state_prev.cpt 170432 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/320/traj.trr 0 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/cg.tpr 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/cg_DOX_NVT.mdp 24680 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/cg_rdf.xvg 5456 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/ener.edr 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/gromacs.sh 2609221 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/md.log 11003 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/mdout.mdp 82816560 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/state_prev.cpt 170432 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/340/traj.trr 0 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/cg.tpr 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/cg_DOX_NVT.mdp 24661 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/cg_rdf.xvg 5506 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/ener.edr 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/gromacs.sh 2609942 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/md.log 11003 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/mdout.mdp 82816560 01-26-2024 19:42 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/state_prev.cpt 170432 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/360/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/ 21880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/#ener.edr.1# 33300 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/#md.log.1# 1263780 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/#traj.trr.1# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/cg.tpr 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/cg_DOX_NVT.mdp 24658 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/cg_rdf.xvg 5597 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/ener.edr 666 01-26-2024 19:41 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dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/state_prev.cpt 170432 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/380/traj.trr 170432 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_300/table_DOX_DOX.xvg 0 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/ 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/300/ 18540 01-26-2024 19:41 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dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/300/gromacs.sh 2609562 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/300/md.log 11003 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/300/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/300/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/300/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/300/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/300/state_prev.cpt 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/300/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/300/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/cg.tpr 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/cg_DOX_NVT.mdp 24657 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/cg_rdf.xvg 5482 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/ener.edr 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/gromacs.sh 2609377 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/md.log 11003 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/state_prev.cpt 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/320/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/cg.tpr 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/cg_DOX_NVT.mdp 24670 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/cg_rdf.xvg 5452 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/ener.edr 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/gromacs.sh 2609860 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/md.log 11003 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/state_prev.cpt 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/table_DOX_DOX.xvg --------- ------- 5349796192 344 files ===================================================== Content of ZIP archive dioxane-data-015.zip ===================================================== Archive: dioxane-data-015.zip Length Date Time Name --------- ---------- ----- ---- 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/340/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/ 21040 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/#ener.edr.1# 32562 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/#md.log.1# 1214220 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/#traj.trr.1# 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/cg.tpr 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/cg_DOX_NVT.mdp 24674 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/cg_rdf.xvg 5449 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/ener.edr 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/gromacs.sh 2616868 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/md.log 11003 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/state_prev.cpt 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/360/traj.trr 0 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/ 18540 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/cg.tpr 2241 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/cg_DOX_NVT.mdp 24660 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/cg_rdf.xvg 5528 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/clusterout.out 47310 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/confout.gro 2940880 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/ener.edr 666 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/gromacs.sh 2608671 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/md.log 11003 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/mdout.mdp 82816560 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/prod_traj.trr 748 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/rdf.sh 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/state.cpt 18024 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/state_prev.cpt 170419 01-26-2024 19:41 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/table_DOX_DOX.xvg 173484780 01-26-2024 19:40 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/380/traj.trr 146 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/go.sh 748 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/rdf.sh 170419 01-26-2024 19:38 dioxane-data/Transferability_of_Pair_Potentials_Fig07/NVT_CG_sims_to_show_pair_matters/vol_fixed_at_96/use_ref_from_380/table_DOX_DOX.xvg 0 01-27-2024 14:04 dioxane-data/aa_sims_cg_opt/ 0 01-27-2024 14:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/ 0 01-26-2024 19:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/ 0 01-26-2024 19:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/ 0 01-26-2024 19:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/ 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/ 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/bond_E.dat 2662 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/cgDOX.lmp 24853 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/cg_rdf.xvg 5554 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/clusterout.out 598 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/coul_E.dat 33347 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/data.cgDOX 123390 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/g_cnt.dat 378057 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/iter6 123400 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/kinetic_E.dat 67788 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/log.cite 379931 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/log.txt 17292200 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/outfile.xtc 123378 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/potential_E.dat 123347 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/press.dat 553385 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/press_tens.dat 77 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/psub.sh 681 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/rdf.sh 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/state2.restart 123359 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/temp.dat 123378 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/vdw_E.dat 123375 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/360/iter6/vol.dat 0 01-26-2024 19:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/ 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/ 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/bond_E.dat 2664 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/cgDOX.lmp 25147 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/cg_rdf.xvg 5500 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/clusterout.out 598 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/coul_E.dat 33348 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/data.cgDOX 123342 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/iter6 378752 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/iter6.o40782255 123375 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/kinetic_E.dat 67798 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/log.cite 379937 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/log.txt 17304948 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/outfile.xtc 123409 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/potential_E.dat 123358 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/press.dat 553251 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/psub.sh 681 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/rdf.sh 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/state2.restart 123353 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/temp.dat 123409 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/vdw_E.dat 123397 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/101/380/iter6/vol.dat 0 01-26-2024 19:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/ 0 01-26-2024 19:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/ 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/ 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/bond_E.dat 2665 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/cgDOX.lmp 25295 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/cg_rdf.xvg 5509 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/clusterout.out 598 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/coul_E.dat 33350 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/data.cgDOX 123386 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/g_cnt.dat 378056 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/iter6 123363 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/kinetic_E.dat 67842 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/log.cite 379933 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/log.txt 17323940 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/outfile.xtc 123340 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/potential_E.dat 123400 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/press.dat 553223 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/psub.sh 681 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/rdf.sh 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/state2.restart 123371 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/temp.dat 123340 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/vdw_E.dat 123369 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/103/380/iter6/vol.dat 0 01-26-2024 19:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/ 0 01-26-2024 19:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/ 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/ 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/bond_E.dat 2670 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/cgDOX.lmp 24683 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/cg_rdf.xvg 5515 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/clusterout.out 598 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/coul_E.dat 33325 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/data.cgDOX 123383 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/iter6 378751 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/iter6.o40782838 123418 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/kinetic_E.dat 67780 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/log.cite 379943 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/log.txt 17285216 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/outfile.xtc 123387 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/potential_E.dat 123371 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/press.dat 553399 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/psub.sh 681 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/rdf.sh 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/state2.restart 123351 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/temp.dat 123387 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/vdw_E.dat 123343 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/320/iter6/vol.dat 0 01-26-2024 19:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/ 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/ 24781 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/#cg_rdf.xvg.1# 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/bond_E.dat 2669 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/cgDOX.lmp 24781 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/cg_rdf.xvg 11174 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/clusterout.out 598 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/coul_E.dat 33333 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/data.cgDOX 123374 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/g_cnt.dat 378058 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/iter6 378754 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/iter6.o40779098 123359 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/kinetic_E.dat 67783 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/log.cite 379939 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/log.txt 17282636 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/outfile.xtc 123387 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/potential_E.dat 123406 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/press.dat 553273 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/psub.sh 681 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/rdf.sh 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/state2.restart 123373 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/temp.dat 123387 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/vdw_E.dat 123380 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/340/iter6/vol.dat 0 01-26-2024 19:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/ 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/ 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/cgDOX.lmp 24693 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/cg_rdf.xvg 5649 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/clusterout.out 598 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/coul_E.dat 33331 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/data.cgDOX 123306 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/g_cnt.dat 378059 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/iter6 378752 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/iter6.o40778818 123400 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/kinetic_E.dat 67787 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/log.cite 379942 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/log.txt 17285444 01-26-2024 19:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/outfile.xtc 123375 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/potential_E.dat 123381 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/press.dat 553270 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/psub.sh 681 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/rdf.sh 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/state2.restart 123363 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/temp.dat 123375 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/vdw_E.dat 123371 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/360/iter6/vol.dat 0 01-26-2024 19:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/ 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/ 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/CG_g_cnt.dat 619 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/PVcurve.bw.0.25.dat 42 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/bond_E.dat 2671 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/cgDOX.lmp 24615 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/cg_rdf.xvg 5510 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/clusterout.out 598 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/coul_E.dat 33329 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/data.cgDOX 123368 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/g_cnt.dat 378061 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/iter6 378752 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/iter6.o40778833 123341 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/kinetic_E.dat 67789 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/log.cite 379944 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/log.txt 17287672 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/outfile.xtc 123369 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/potential_E.dat 123360 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/press.dat 553219 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/psub.sh 681 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/rdf.sh 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/state2.restart 123374 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/temp.dat 123369 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/vdw_E.dat 123354 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/96/380/iter6/vol.dat 0 01-26-2024 19:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/ 0 01-26-2024 19:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/ 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/ 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/bond_E.dat 2668 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/cgDOX.lmp 24837 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/cg_rdf.xvg 5575 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/clusterout.out 598 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/coul_E.dat 33330 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/data.cgDOX 123375 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/g_cnt.dat 378060 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/iter6 123361 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/kinetic_E.dat 67787 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/log.cite 379940 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/log.txt 17290932 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/outfile.xtc 123401 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/potential_E.dat 123370 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/press.dat 553360 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/press_tens.dat 76 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/psub.sh 681 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/rdf.sh 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/state2.restart 123351 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/temp.dat 123401 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/vdw_E.dat 123377 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/340/iter6/vol.dat 0 01-26-2024 19:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/ 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/ 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/bond_E.dat 2662 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/cgDOX.lmp 24842 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/cg_rdf.xvg 5549 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/clusterout.out 598 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/coul_E.dat 33347 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/data.cgDOX 123390 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/g_cnt.dat 378057 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/iter6 123400 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/kinetic_E.dat 67788 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/log.cite 379931 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/log.txt 17292200 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/outfile.xtc 123378 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/potential_E.dat 123347 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/press.dat 553385 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/press_tens.dat 77 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/psub.sh 681 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/rdf.sh 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/state2.restart 123359 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/temp.dat 123378 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/vdw_E.dat 123375 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/360/iter6/vol.dat 0 01-26-2024 19:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/ 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/ 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/bond_E.dat 2667 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/cgDOX.lmp 24971 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/cg_rdf.xvg 5886 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/clusterout.out 598 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/coul_E.dat 33342 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/data.cgDOX 123327 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/g_cnt.dat 378059 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/iter6 378749 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/iter6.o40782248 123392 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/kinetic_E.dat 67790 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/log.cite 379938 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/log.txt 17294384 01-26-2024 19:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/outfile.xtc 123397 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/potential_E.dat 123400 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/press.dat 553322 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/press_tens.dat 77 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/psi.dat 542 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/psub.sh 681 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/rdf.sh 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/state2.restart 123375 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/temp.dat 123397 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/vdw_E.dat 123379 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/calculate_extra_MSCG_NPT_RDFs/98/380/iter6/vol.dat 0 01-27-2024 14:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/ 0 05-22-2023 19:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/ 0 10-24-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/ 1372160 10-14-2022 13:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/.md.log.swp 0 10-21-2022 13:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/ 0 09-26-2023 22:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/ 130858 09-26-2023 21:12 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/#pressures.xvg.1# 18540 10-21-2022 13:16 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/CG.tpr 3301 10-21-2022 14:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/CG_DOX_1.4.o39636690 35129 10-26-2022 13:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/CG_RDF_comp.agr 71402 10-26-2022 13:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/CG_RDF_comp.png 1894 10-21-2022 13:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/cg_DOX.mdp 481 10-21-2022 13:16 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/cg_DOX.top 24654 10-22-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/cg_rdf.xvg 47313 10-21-2022 13:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/cg_starting.gro 47310 10-21-2022 14:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/confout.gro 33385 07-05-2023 16:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/data.cgDOX2 2100880 10-21-2022 14:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/ener.edr 130834 05-29-2023 10:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/energy.xvg 38780 08-14-2023 13:06 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/forces.xy 487 10-21-2022 13:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/gromacs.sh 10304 10-21-2022 13:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/index.ndx 67777 07-05-2023 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/lammps_nb_DOXDOX.table 1888977 10-21-2022 14:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/md.log 11025 10-21-2022 13:16 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/mdout.mdp 38849 08-14-2023 18:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/potential.xy 78871 09-26-2023 22:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/pressures.xvg 18076 10-21-2022 14:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/state.cpt 18076 10-21-2022 14:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/state_prev.cpt 170432 10-21-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/table_DOX_DOX.xvg 123924780 10-21-2022 14:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_1.4/traj.trr 0 10-21-2022 13:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/ 0 09-18-2023 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/ 24663 10-20-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/#CG_RDF.xvg.1# 13264 10-19-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/#md.log.1# 18540 10-19-2022 13:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/CG.tpr 6720 10-19-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/CG_DOX.o39598299 3363 10-19-2022 14:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/CG_DOX.o39599505 24682 10-20-2022 10:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/CG_RDF.xvg 1894 10-20-2022 10:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/cg_DOX.mdp 481 10-19-2022 12:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/cg_DOX.top 2200 10-19-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/cg_DOX_NPT.mdp 47313 10-19-2022 12:59 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/cg_starting.gro 47310 10-19-2022 14:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/confout.gro 2100880 10-19-2022 14:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/ener.edr 483 10-19-2022 13:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/gromacs.sh 10304 10-19-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/index.ndx 1881633 10-19-2022 14:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/md.log 11014 10-19-2022 13:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/mdout.mdp 199 10-21-2022 13:08 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/noteaboutthisfolder.txt 661783 10-19-2022 12:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/startingframe.gro 18076 10-19-2022 14:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/state.cpt 18076 10-19-2022 14:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/state_prev.cpt 17145 10-19-2022 13:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/table_DOX_DOX.xvg 170588 10-19-2022 12:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/table_MEO_MEO.xvg 123924780 10-19-2022 14:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt1/traj.trr 0 09-18-2023 12:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/CGNVT/cutoff_2.0/attempt2/ 18540 10-21-2022 10:52 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter3/ 399 10-25-2022 13:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter3/CG3distro.xvg 1467 10-25-2022 13:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter3/PVcurve.bw.0.1.dat 0 10-25-2022 13:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter4/ 399 10-25-2022 13:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter4/CG4distro.xvg 1517 10-25-2022 13:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter4/PVcurve.bw.0.1.dat 0 10-26-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter5/ 399 10-26-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter5/CG5distro.xvg 1492 10-26-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter5/PVcurve.bw.0.1.dat 0 08-18-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter6/ 399 10-26-2022 12:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter6/CG6distro.xvg 1741 10-26-2022 12:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/Analysis/iter6/PVcurve.bw.0.1.dat 766628 10-24-2022 14:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/aa_pressures.xvg 750790 10-24-2022 14:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/aa_volumes.xvg 2651 10-24-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/cgDOX.lmp 591 10-24-2022 21:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/config.ini 581 10-24-2022 21:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/config.ini0 33358 10-25-2022 09:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/data.cgDOX 549 09-04-2023 14:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/gocheck.sh 0 10-24-2022 15:08 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/gromacs_stuff_for_datafile/ 481 10-24-2022 14:59 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/gromacs_stuff_for_datafile/cg_DOX.top 47313 10-24-2022 14:58 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/gromacs_stuff_for_datafile/cg_starting.gro 10304 10-24-2022 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/gromacs_stuff_for_datafile/index.ndx 170432 10-24-2022 14:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/gromacs_stuff_for_datafile/table_DOX_DOX.xvg 0 12-13-2022 10:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/ 378833 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/NAME.o39666819 52 10-24-2022 14:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/Q.dat 48929 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/angle_E.dat 48929 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/bond_E.dat 2662 10-24-2022 15:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/cgDOX.lmp 780840 10-24-2022 13:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/cg_pressures.xvg 750832 10-24-2022 13:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/cg_volumes.xvg 581 10-24-2022 13:59 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/config.ini0 48929 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/coul_E.dat 33356 10-24-2022 15:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/data.cgDOX 123391 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/enthalpy.dat 18 10-24-2022 14:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/g_cnt.dat 123386 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/kinetic_E.dat 67777 10-24-2022 15:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/lammps_nb_DOXDOX.table 405 10-24-2022 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/log.cite 379934 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/log.lammps 79 10-24-2022 14:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/log.txt 123330 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/potential_E.dat 125858 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/press.dat 553355 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/press_tens.dat 76 10-24-2022 14:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/psi.dat 663 10-24-2022 15:03 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/psub.sh 94278 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/state1.restart 94278 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/state2.restart 170432 10-24-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/table_DOX_DOX.xvg 123386 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/temp.dat 123330 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/vdw_E.dat 123382 10-24-2022 16:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter0/vol.dat 0 10-26-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/ 18 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/AA_g_cnt.dat 0 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/CG_Q.dat 18 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/CG_g_cnt.dat 42 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/Q.dat 48929 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/angle_E.dat 48929 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/bond_E.dat 2658 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/cgDOX.lmp 598 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/config.ini 48929 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/coul_E.dat 33358 10-25-2022 09:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/data.cgDOX 123413 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/enthalpy.dat 18 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/g_cnt.dat 1628 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/iter1.o39668504 1708 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/iter1.o39668505 378672 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/iter1.o39671078 123354 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/kinetic_E.dat 67777 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/lammps_nb_DOXDOX.table 405 10-25-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/log.cite 379929 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/log.lammps 158 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/log.txt 123368 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/potential_E.dat 125994 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/press.dat 553368 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/press_tens.dat 77 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/psi.dat 664 10-24-2022 21:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/psub.sh 94278 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/state1.restart 94278 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/state2.restart 123403 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/temp.dat 123368 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/vdw_E.dat 123363 10-25-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter1/vol.dat 0 10-26-2022 11:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/ 18 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/AA_g_cnt.dat 0 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/CG_Q.dat 18 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/CG_g_cnt.dat 42 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/Q.dat 48929 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/angle_E.dat 48929 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/bond_E.dat 2658 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/cgDOX.lmp 598 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/config.ini 48929 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/coul_E.dat 33358 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/data.cgDOX 123341 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/enthalpy.dat 18 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/g_cnt.dat 378754 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/iter2.o39671761 123387 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/kinetic_E.dat 67777 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/lammps_nb_DOXDOX.table 405 10-25-2022 10:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/log.cite 379931 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/log.lammps 158 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/log.txt 123347 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/potential_E.dat 125919 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/press.dat 553321 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/press_tens.dat 77 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/psi.dat 664 10-25-2022 10:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/psub.sh 94278 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/state1.restart 94278 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/state2.restart 123381 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/temp.dat 123347 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/vdw_E.dat 123352 10-25-2022 11:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter2/vol.dat 0 10-26-2022 11:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/ 18 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/AA_g_cnt.dat 0 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/CG_Q.dat 18 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/CG_g_cnt.dat 42 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/Q.dat 48929 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/angle_E.dat 48929 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/bond_E.dat 2658 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/cgDOX.lmp 598 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/config.ini 48929 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/coul_E.dat 33358 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/data.cgDOX 123353 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/enthalpy.dat 18 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/g_cnt.dat 378752 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/iter3.o39672354 123382 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/kinetic_E.dat 67777 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/lammps_nb_DOXDOX.table 405 10-25-2022 11:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/log.cite 379929 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/log.lammps 158 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/log.txt 123367 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/potential_E.dat 125901 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/press.dat 553469 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/press_tens.dat 77 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/psi.dat 664 10-25-2022 11:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/psub.sh 94278 10-25-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/state1.restart 94278 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/state2.restart 123381 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/temp.dat 123367 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/vdw_E.dat 123354 10-25-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter3/vol.dat 0 10-26-2022 11:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/ 18 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/AA_g_cnt.dat 0 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/CG_Q.dat 18 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/CG_g_cnt.dat 42 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/Q.dat 48929 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/angle_E.dat 48929 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/bond_E.dat 2658 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/cgDOX.lmp 598 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/config.ini 48929 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/coul_E.dat 33358 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/data.cgDOX 123393 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/enthalpy.dat 18 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/g_cnt.dat 378755 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/iter4.o39672721 123357 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/kinetic_E.dat 67777 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/lammps_nb_DOXDOX.table 405 10-25-2022 12:58 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/log.cite 379932 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/log.lammps 158 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/log.txt 123337 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/potential_E.dat 125923 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/press.dat 553361 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/press_tens.dat 77 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/psi.dat 664 10-25-2022 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/psub.sh 94278 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/state1.restart 94278 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/state2.restart 123361 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/temp.dat 123337 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/vdw_E.dat 123416 10-25-2022 13:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter4/vol.dat 0 11-15-2022 20:16 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/ 18 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/AA_g_cnt.dat 0 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/CG_Q.dat 18 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/CG_g_cnt.dat 42 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/Q.dat 48929 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/angle_E.dat 48929 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/bond_E.dat 2658 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/cgDOX.lmp 598 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/config.ini 48929 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/coul_E.dat 33358 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/data.cgDOX 123320 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/enthalpy.dat 18 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/g_cnt.dat 378753 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/iter5.o39673063 123363 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/kinetic_E.dat 67777 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/lammps_nb_DOXDOX.table 405 10-25-2022 13:58 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/log.cite 379930 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/log.lammps 158 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/log.txt 123396 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/potential_E.dat 125974 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/press.dat 553312 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/press_tens.dat 77 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/psi.dat 664 10-25-2022 13:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/psub.sh 94278 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/state1.restart 94278 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/state2.restart 123403 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/temp.dat 123396 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/vdw_E.dat 123365 10-25-2022 14:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter5/vol.dat 0 10-02-2023 21:16 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/ 18 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/AA_g_cnt.dat 0 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/CG_Q.dat 18 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/CG_g_cnt.dat 171445 10-02-2023 21:16 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/PV.xvg 646 09-04-2023 14:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/PVcurve.bw.0.25.dat 42 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/Q.dat 48929 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/angle_E.dat 48929 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/bond_E.dat 2658 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/cgDOX.lmp 598 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/config.ini 48929 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/coul_E.dat 33358 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/data.cgDOX 123336 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/enthalpy.dat 18 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/g_cnt.dat 378755 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/iter6.o39680561 123372 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/kinetic_E.dat 67777 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/lammps_nb_DOXDOX.table 405 10-26-2022 11:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/log.cite 379932 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/log.lammps 158 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/log.txt 123394 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/potential_E.dat 125981 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/press.dat 553352 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/press_tens.dat 77 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/psi.dat 664 10-26-2022 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/psub.sh 249307 06-29-2023 13:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/pv.dat 171445 06-29-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/pvv.dat 94278 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/state1.restart 94278 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/state2.restart 3040742 07-05-2023 16:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/tabulated_300.xvg 3122844 07-05-2023 16:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/tabulated_300.xvg_forces 123382 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/temp.dat 123394 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/vdw_E.dat 123326 10-26-2022 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/iter6/vol.dat 67777 10-24-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/lammps_nb_DOXDOX.table 1086 10-24-2022 15:08 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/pgo.sh 663 10-24-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/psub.sh 0 06-29-2023 13:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/ 18540 10-24-2022 13:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/#rerun.tpr.1# 8153 10-24-2022 13:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/CG_DOX_rerun.o39666215 1140883 06-29-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/PV.xvg 660370 06-29-2023 13:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/PvV.xvg 481 10-24-2022 10:08 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/cg_DOX.top 2236 10-24-2022 13:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/cg_DOX_NPT.mdp 780840 10-24-2022 13:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/cg_pressures.xvg 47313 10-24-2022 10:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/cg_starting.gro 750832 10-24-2022 13:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/cg_volumes.xvg 534 10-24-2022 13:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/gromacs.sh 10304 10-24-2022 10:03 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/index.ndx 1484569484 10-24-2022 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/mappedaa.trr 12227467 10-24-2022 13:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/md.log 12112 10-24-2022 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/mdout.mdp 6721116 10-24-2022 13:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/rerun.edr 18236 10-24-2022 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/rerun.tpr 170432 10-24-2022 10:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/table_DOX_DOX.xvg 743424780 10-24-2022 13:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/rerun/traj.trr 0 07-05-2023 15:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/trying_tabulated_stuff_here/ 743716 07-05-2023 15:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/300K/1_bar/pressure_matching/trying_tabulated_stuff_here/300_padded.txt 2645 07-05-2023 15:36 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.FF.dat 68214 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.G.dat 1425 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.L.dat 55252 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.M.dat 54150 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.M2.dat 7 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.Nf.dat 1450 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.b_forces.dat 1470 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.b_struct.dat 55674 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.d2M.dat 1616 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.d2b.dat 1467 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.g.dat 1583 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.g_cnt.dat 1583 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/save.rescale.dat 2058 11-08-2022 21:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/forcematchresults/summarize_input.txt 2668 11-08-2022 20:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/general.mdp 72 11-08-2022 20:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/inp.txt 7908 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/log.txt 47313 11-08-2022 20:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/mappedaa.gro 1484569484 11-08-2022 20:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/mappedaa.trr 11022 11-08-2022 20:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/mdout.mdp 0 11-08-2022 21:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/nb 911 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/out.total.txt 531 11-08-2022 20:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/par.txt 998 11-08-2022 21:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/progress.txt 170445 11-08-2022 21:06 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/mapandmatch/tables_DOX_DOX.xvg 0 09-24-2023 16:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/ 0 11-15-2022 21:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/ 0 10-02-2023 15:59 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/ 643828 10-02-2023 15:59 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/PV.xvg 2053 11-14-2022 09:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/PVcurve.bw.0.1.dat 774 09-04-2023 12:12 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/PVcurve.bw.0.25.dat 403 11-14-2022 09:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/aa_voldis.xvg 766054 11-14-2022 09:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/press.dat 0 09-02-2023 22:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/try_to_smooth/ 4018 09-02-2023 22:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/try_to_smooth/PV2.py 1035 09-02-2023 22:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/try_to_smooth/PVcurve.bw.0.2.dat 774 09-02-2023 22:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/try_to_smooth/PVcurve.bw.0.25.dat 653 09-02-2023 22:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/try_to_smooth/PVcurve.bw.0.3.dat 766054 09-02-2023 22:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/try_to_smooth/press.dat 750025 09-02-2023 22:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/try_to_smooth/vol.dat 750025 11-14-2022 09:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/aa/vol.dat 0 11-14-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter0/ 401 11-14-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter0/CG0distro.xvg 1659 11-14-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter0/PVcurve.bw.0.1.dat 0 11-14-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter1/ 402 11-14-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter1/CG1distro.xvg 1738 11-14-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter1/PVcurve.bw.0.1.dat 0 11-14-2022 14:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter2/ 402 11-14-2022 14:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter2/CG2distro.xvg 1743 11-14-2022 14:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter2/PVcurve.bw.0.1.dat 0 11-14-2022 14:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter3/ 402 11-14-2022 14:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter3/CG3distro.xvg 1707 11-14-2022 14:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter3/PVcurve.bw.0.1.dat 0 11-15-2022 21:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter4/ 402 11-15-2022 21:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter4/CG4distro.xvg 1744 11-15-2022 21:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter4/PVcurve.bw.0.1.dat 0 11-15-2022 21:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter5/ 403 11-15-2022 21:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter5/CG5distro.xvg 1984 11-15-2022 21:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter5/PVcurve.bw.0.1.dat 0 08-18-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter6/ 403 11-15-2022 09:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter6/CG6distro.xvg 1796 11-15-2022 09:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/Analysis/iter6/PVcurve.bw.0.1.dat 474074 12-15-2022 11:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/DOX_Cubic_Pressure_Padded_LAMMPS.xvg 461898 12-15-2022 11:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/DOX_Quad_Pressure_Padded_LAMMPS.xvg 766829 11-09-2022 10:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/aa_pressures.xvg 750797 11-09-2022 10:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/aa_volumes.xvg 2652 11-09-2022 10:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/cgDOX.lmp 591 11-09-2022 10:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/config.ini 33325 11-09-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/data.cgDOX 0 01-04-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/ 441817 12-15-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/DOX_Cubic_Potential_Padded_LAMMPS.xvg 474074 12-15-2022 11:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/DOX_Cubic_Pressure_Padded_LAMMPS.xvg 461898 12-15-2022 11:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/DOX_Quad_Pressure_Padded_LAMMPS.xvg 429445 12-15-2022 11:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/Dioxane_Padded_Quadratic_Stitched_Lammps.xvg 3127705 01-04-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/Pressure_Corrections_andFits.agr 2659 12-13-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cgDOX.lmp 0 12-15-2022 20:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/ 4834362 01-04-2023 10:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/DOX_Cubic_Pressure_Padded_LAMMPS.xvg 36 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/angle_E.dat 36 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/bond_E.dat 2669 12-15-2022 11:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/cgDOX.lmp 36 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/coul_E.dat 462718 12-13-2022 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/cubic_fit_dox_lammps.xvg 33325 12-13-2022 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/data.cgDOX 36 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/enthalpy.dat 36 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/kinetic_E.dat 67789 12-13-2022 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/lammps_nb_DOXDOX.table 405 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/log.cite 3846 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/log.lammps 36 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/potential_E.dat 39 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/press.dat 44 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/press_tens.dat 667 12-15-2022 11:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/psub.sh 38 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/temp.dat 36 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/vdw_E.dat 37 12-15-2022 20:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/cubic/vol.dat 33325 12-13-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/data.cgDOX 67789 12-13-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/lammps_nb_DOXDOX.table 664 12-13-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/psub.sh 0 03-13-2023 20:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/ 1116885 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/DOX_Quad_Pressure_Padded_LAMMPS.xvg 462796 12-13-2022 13:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/Quadratic_Fit_DOXlammps.xvg 36 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/angle_E.dat 36 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/bond_E.dat 2668 12-15-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/cgDOX.lmp 36 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/coul_E.dat 33325 12-13-2022 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/data.cgDOX 36 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/enthalpy.dat 36 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/kinetic_E.dat 67789 12-13-2022 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/lammps_nb_DOXDOX.table 405 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/log.cite 3846 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/log.lammps 36 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/potential_E.dat 39 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/press.dat 44 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/press_tens.dat 664 12-13-2022 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/psub.sh 38 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/temp.dat 36 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/vdw_E.dat 37 12-15-2022 20:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/full_surface_potential/quad/vol.dat 540 11-14-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/gocheck.sh 0 12-13-2022 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/ 2318 11-09-2022 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/I0.o39840614 378829 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/I0.o39840644 52 11-09-2022 10:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/Q.dat 48929 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/angle_E.dat 48929 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/bond_E.dat 2669 11-09-2022 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/cgDOX.lmp 780824 11-09-2022 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/cg_pressures.xvg 750836 11-09-2022 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/cg_volumes.xvg 581 11-09-2022 10:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/config.ini0 48929 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/coul_E.dat 33325 11-09-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/data.cgDOX 123350 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/enthalpy.dat 18 11-09-2022 10:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/g_cnt.dat 123361 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/kinetic_E.dat 67789 11-09-2022 10:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/lammps_nb_DOXDOX.table 405 11-09-2022 10:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/log.cite 379937 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/log.lammps 79 11-09-2022 10:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/log.txt 123347 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/potential_E.dat 125952 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/press.dat 553342 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/press_tens.dat 76 11-09-2022 10:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/psi.dat 554 11-09-2022 10:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/psub.sh 94278 11-09-2022 16:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/state1.restart 94278 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/state2.restart 123357 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/temp.dat 123347 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/vdw_E.dat 123353 11-09-2022 16:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter0/vol.dat 0 12-13-2022 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/ 18 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/AA_g_cnt.dat 0 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/CG_Q.dat 18 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/CG_g_cnt.dat 42 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/Q.dat 48929 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/angle_E.dat 48929 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/bond_E.dat 2659 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/cgDOX.lmp 598 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/config.ini 48929 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/coul_E.dat 33325 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/data.cgDOX 123390 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/enthalpy.dat 18 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/g_cnt.dat 378751 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/iter1.o39841147 123382 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/kinetic_E.dat 67789 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/lammps_nb_DOXDOX.table 405 11-09-2022 11:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/log.cite 379929 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/log.lammps 158 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/log.txt 123352 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/potential_E.dat 125916 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/press.dat 553307 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/press_tens.dat 77 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/psi.dat 664 11-09-2022 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/psub.sh 94278 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/state1.restart 94278 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/state2.restart 123376 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/temp.dat 123352 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/vdw_E.dat 123328 11-09-2022 13:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter1/vol.dat 0 12-13-2022 09:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/ 18 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/AA_g_cnt.dat 0 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/CG_Q.dat 18 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/CG_g_cnt.dat 42 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/Q.dat 48929 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/angle_E.dat 48929 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/bond_E.dat 2659 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/cgDOX.lmp 598 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/config.ini 48929 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/coul_E.dat 33325 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/data.cgDOX 123336 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/enthalpy.dat 18 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/g_cnt.dat 378754 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/iter2.o39915815 123386 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/kinetic_E.dat 67789 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/lammps_nb_DOXDOX.table 405 11-14-2022 09:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/log.cite 379932 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/log.lammps 158 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/log.txt 123335 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/potential_E.dat 125897 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/press.dat 553456 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/press_tens.dat 77 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/psi.dat 664 11-14-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/psub.sh 94278 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/state1.restart 94278 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/state2.restart 123328 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/temp.dat 123335 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/vdw_E.dat 123395 11-14-2022 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter2/vol.dat 0 12-13-2022 09:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/ 18 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/AA_g_cnt.dat 0 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/CG_Q.dat 18 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/CG_g_cnt.dat 42 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/Q.dat 48929 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/angle_E.dat 48929 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/bond_E.dat 2659 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/cgDOX.lmp 598 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/config.ini 48929 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/coul_E.dat 33325 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/data.cgDOX 123364 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/enthalpy.dat 18 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/g_cnt.dat 378751 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/iter3.o39917370 378751 11-14-2022 11:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/iter3.o39917372 123399 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/kinetic_E.dat 67789 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/lammps_nb_DOXDOX.table 405 11-14-2022 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/log.cite 379929 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/log.lammps 158 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/log.txt 123395 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/potential_E.dat 125938 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/press.dat 553161 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/press_tens.dat 77 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/psi.dat 664 11-14-2022 10:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/psub.sh 94278 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/state1.restart 94278 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/state2.restart 123366 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/temp.dat 123395 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/vdw_E.dat 123387 11-14-2022 11:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter3/vol.dat 0 12-13-2022 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/ 18 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/AA_g_cnt.dat 0 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/CG_Q.dat 18 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/CG_g_cnt.dat 42 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/Q.dat 48929 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/angle_E.dat 48929 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/bond_E.dat 2659 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/cgDOX.lmp 598 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/config.ini 48929 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/coul_E.dat 33325 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/data.cgDOX 123322 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/enthalpy.dat 18 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/g_cnt.dat 378753 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/iter4.o39923987 123352 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/kinetic_E.dat 67789 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/lammps_nb_DOXDOX.table 405 11-14-2022 14:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/log.cite 379931 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/log.lammps 158 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/log.txt 123360 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/potential_E.dat 125928 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/press.dat 553349 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/press_tens.dat 77 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/psi.dat 664 11-14-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/psub.sh 94278 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/state1.restart 94278 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/state2.restart 123410 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/temp.dat 123360 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/vdw_E.dat 123374 11-14-2022 15:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter4/vol.dat 0 12-13-2022 09:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/ 18 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/AA_g_cnt.dat 0 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/CG_Q.dat 18 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/CG_g_cnt.dat 42 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/Q.dat 48929 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/angle_E.dat 48929 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/bond_E.dat 2659 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/cgDOX.lmp 598 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/config.ini 48929 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/coul_E.dat 33325 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/data.cgDOX 123391 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/enthalpy.dat 18 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/g_cnt.dat 378749 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/iter5.o39926251 123361 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/kinetic_E.dat 67789 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/lammps_nb_DOXDOX.table 405 11-14-2022 15:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/log.cite 379927 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/log.lammps 158 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/log.txt 123389 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/potential_E.dat 125962 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/press.dat 553376 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/press_tens.dat 77 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/psi.dat 664 11-14-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/psub.sh 94278 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/state1.restart 94278 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/state2.restart 123347 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/temp.dat 123389 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/vdw_E.dat 123391 11-14-2022 16:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter5/vol.dat 0 10-03-2023 19:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter6/ 18 11-15-2022 08:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter6/AA_g_cnt.dat 0 11-15-2022 08:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter6/CG_Q.dat 18 11-15-2022 08:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter6/CG_g_cnt.dat 171548 10-03-2023 19:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter6/PV.xvg 709 09-04-2023 14:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/320K/pressure_matching/iter6/PVcurve.bw.0.25.dat 42 11-15-2022 08:22 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/Analysis/iter7/PVcurve.bw.0.1.dat 0 11-02-2022 14:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/Analysis/iter8/ 413 11-02-2022 14:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/Analysis/iter8/CG8distro.xvg 2268 11-02-2022 14:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/Analysis/iter8/PVcurve.bw.0.1.dat 767019 10-31-2022 14:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/aa_pressures.xvg 750813 10-31-2022 14:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/aa_volumes.xvg 2651 10-31-2022 15:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/cgDOX.lmp 591 10-31-2022 14:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/config.ini 581 10-31-2022 14:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/config.ini0 33341 10-31-2022 15:03 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/data.cgDOX 540 10-31-2022 14:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/gocheck.sh 0 11-01-2022 13:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/ 378830 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/NAME.o39732659 52 10-31-2022 15:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/Q.dat 48929 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/angle_E.dat 48929 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/bond_E.dat 2661 10-31-2022 15:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/cgDOX.lmp 780813 10-31-2022 15:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/cg_pressures.xvg 750816 10-31-2022 15:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/cg_volumes.xvg 581 10-31-2022 15:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/config.ini0 48929 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/coul_E.dat 33341 10-31-2022 15:06 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/data.cgDOX 123373 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/enthalpy.dat 18 10-31-2022 15:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/g_cnt.dat 123335 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/kinetic_E.dat 67808 10-31-2022 15:12 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/lammps_nb_DOXDOX.table 405 10-31-2022 15:16 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/log.cite 379930 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/log.lammps 79 10-31-2022 15:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/log.txt 123365 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/potential_E.dat 125904 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/press.dat 553292 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/press_tens.dat 77 10-31-2022 15:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/psi.dat 663 10-31-2022 15:06 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/psub.sh 94278 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/state1.restart 94278 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/state2.restart 123380 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/temp.dat 123365 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/vdw_E.dat 123364 10-31-2022 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter0/vol.dat 0 11-01-2022 13:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/ 18 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/AA_g_cnt.dat 0 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/CG_Q.dat 18 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/CG_g_cnt.dat 42 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/Q.dat 48929 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/angle_E.dat 48929 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/bond_E.dat 2658 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/cgDOX.lmp 598 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/config.ini 48929 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/coul_E.dat 33341 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/data.cgDOX 123357 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/enthalpy.dat 18 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/g_cnt.dat 378750 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/iter1.o39744785 123373 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/kinetic_E.dat 67808 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/lammps_nb_DOXDOX.table 405 11-01-2022 09:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/log.cite 379927 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/log.lammps 158 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/log.txt 123368 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/potential_E.dat 125951 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/press.dat 553271 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/press_tens.dat 78 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/psi.dat 664 11-01-2022 09:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/psub.sh 94278 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/state1.restart 94278 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/state2.restart 123374 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/temp.dat 123368 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/vdw_E.dat 123371 11-01-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter1/vol.dat 0 11-01-2022 13:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/ 18 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/AA_g_cnt.dat 0 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/CG_Q.dat 18 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/CG_g_cnt.dat 42 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/Q.dat 48929 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/angle_E.dat 48929 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/bond_E.dat 2658 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/cgDOX.lmp 598 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/config.ini 48929 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/coul_E.dat 33341 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/data.cgDOX 123388 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/enthalpy.dat 18 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/g_cnt.dat 378750 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/iter2.o39745756 123348 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/kinetic_E.dat 67808 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/lammps_nb_DOXDOX.table 405 11-01-2022 12:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/log.cite 379927 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/log.lammps 158 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/log.txt 123371 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/potential_E.dat 125927 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/press.dat 553248 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/press_tens.dat 78 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/psi.dat 664 11-01-2022 12:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/psub.sh 94278 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/state1.restart 94278 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/state2.restart 123375 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/temp.dat 123371 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/vdw_E.dat 123380 11-01-2022 13:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter2/vol.dat 0 11-02-2022 08:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/ 18 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/AA_g_cnt.dat 0 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/CG_Q.dat 18 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/CG_g_cnt.dat 42 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/Q.dat 48929 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/angle_E.dat 0 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/ 18 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/AA_g_cnt.dat 0 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/CG_Q.dat 18 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/CG_g_cnt.dat 42 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/Q.dat 48929 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/angle_E.dat 48929 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/bond_E.dat 2658 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/cgDOX.lmp 32768 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/check_log.lammps 598 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/config.ini 48929 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/coul_E.dat 33341 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/data.cgDOX 123440 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/enthalpy.dat 18 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/g_cnt.dat 378831 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/iter3.o39747950 123363 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/kinetic_E.dat 67808 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/lammps_nb_DOXDOX.table 405 11-01-2022 15:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/log.cite 379928 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/log.lammps 158 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/log.txt 123396 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/potential_E.dat 125860 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/press.dat 553462 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/press_tens.dat 78 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/psi.dat 664 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/psub.sh 94278 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/state1.restart 94278 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/state2.restart 123389 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/temp.dat 123396 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/vdw_E.dat 123374 11-01-2022 16:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/attempt2/vol.dat 48929 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/bond_E.dat 2658 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/cgDOX.lmp 32768 11-01-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/check_log.lammps 598 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/config.ini 48929 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/coul_E.dat 33341 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/data.cgDOX 123440 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/enthalpy.dat 18 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/g_cnt.dat 378748 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/iter3.o39746466 123363 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/kinetic_E.dat 67808 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/lammps_nb_DOXDOX.table 405 11-01-2022 13:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/log.cite 379925 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/log.lammps 158 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/log.txt 123396 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/potential_E.dat 125860 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/press.dat 553462 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/press_tens.dat 78 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/psi.dat 664 11-01-2022 13:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/psub.sh 94278 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/state1.restart 94278 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/state2.restart 123389 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/temp.dat 123396 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/vdw_E.dat 123374 11-02-2022 05:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter3/vol.dat 0 11-02-2022 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/ 18 11-02-2022 08:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/AA_g_cnt.dat 0 11-02-2022 08:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/CG_Q.dat 18 11-02-2022 08:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/CG_g_cnt.dat 42 11-02-2022 08:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/Q.dat 48929 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/angle_E.dat 48929 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/bond_E.dat 2658 11-02-2022 08:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/cgDOX.lmp 598 11-02-2022 08:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/config.ini 48929 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/coul_E.dat 33341 11-02-2022 08:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/data.cgDOX 123350 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/enthalpy.dat 18 11-02-2022 08:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/g_cnt.dat 378751 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/iter4.o39754650 123404 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/kinetic_E.dat 67808 11-02-2022 08:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/lammps_nb_DOXDOX.table 405 11-02-2022 08:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/log.cite 379928 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/log.lammps 158 11-02-2022 08:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/log.txt 123367 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/potential_E.dat 125858 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/press.dat 553434 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/press_tens.dat 78 11-02-2022 08:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/psi.dat 664 11-02-2022 08:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/psub.sh 94278 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/state1.restart 94278 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/state2.restart 123374 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/temp.dat 123367 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/vdw_E.dat 123363 11-02-2022 09:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter4/vol.dat 0 11-02-2022 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/ 18 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/AA_g_cnt.dat 0 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/CG_Q.dat 18 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/CG_g_cnt.dat 42 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/Q.dat 48929 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/angle_E.dat 48929 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/bond_E.dat 2658 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/cgDOX.lmp 598 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/config.ini 48929 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/coul_E.dat 33341 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/data.cgDOX 123396 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/enthalpy.dat 18 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/g_cnt.dat 378748 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/iter5.o39755780 123376 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/kinetic_E.dat 67808 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/lammps_nb_DOXDOX.table 405 11-02-2022 09:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/log.cite 379925 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/log.lammps 158 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/log.txt 123368 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/potential_E.dat 126020 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/press.dat 553327 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/press_tens.dat 78 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/psi.dat 664 11-02-2022 09:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/psub.sh 94278 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/state1.restart 94278 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/state2.restart 123333 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/temp.dat 123368 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/vdw_E.dat 123421 11-02-2022 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter5/vol.dat 0 10-03-2023 19:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/ 18 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/AA_g_cnt.dat 0 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/CG_Q.dat 18 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/CG_g_cnt.dat 171389 10-03-2023 19:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/PV.xvg 888 09-04-2023 14:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/PVcurve.bw.0.25.dat 42 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/Q.dat 48929 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/angle_E.dat 48929 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/bond_E.dat 2658 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/cgDOX.lmp 598 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/config.ini 48929 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/coul_E.dat 33341 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/data.cgDOX 123407 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/enthalpy.dat 18 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/g_cnt.dat 378751 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/iter6.o39756822 123326 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/kinetic_E.dat 67808 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/lammps_nb_DOXDOX.table 405 11-02-2022 10:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/log.cite 379928 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/log.lammps 158 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/log.txt 123378 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/potential_E.dat 125880 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/press.dat 553413 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/press_tens.dat 78 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/psi.dat 664 11-02-2022 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/psub.sh 94278 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/state1.restart 94278 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/state2.restart 123370 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/temp.dat 123378 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/vdw_E.dat 123371 11-02-2022 11:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter6/vol.dat 0 11-02-2022 12:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/ 18 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/AA_g_cnt.dat 0 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/CG_Q.dat 18 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/CG_g_cnt.dat 42 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/Q.dat 48929 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/angle_E.dat 48929 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/bond_E.dat 2658 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/cgDOX.lmp 598 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/config.ini 48929 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/coul_E.dat 33341 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/data.cgDOX 123375 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/enthalpy.dat 18 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/g_cnt.dat 123361 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/kinetic_E.dat 67808 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/lammps_nb_DOXDOX.table 405 11-02-2022 11:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/log.cite 379928 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/log.lammps 158 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/log.txt 123390 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/potential_E.dat 125885 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/press.dat 553415 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/press_tens.dat 78 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/psi.dat 664 11-02-2022 11:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/psub.sh 94278 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/state1.restart 94278 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/state2.restart 123376 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/temp.dat 123390 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/vdw_E.dat 123398 11-02-2022 12:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter7/vol.dat 0 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/ 18 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/AA_g_cnt.dat 0 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/CG_Q.dat 18 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/CG_g_cnt.dat 42 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/Q.dat 48929 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/angle_E.dat 48929 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/bond_E.dat 2658 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/cgDOX.lmp 598 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/config.ini 48929 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/coul_E.dat 33341 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/data.cgDOX 123346 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/enthalpy.dat 18 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/g_cnt.dat 378746 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/iter8.o39758607 123351 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/kinetic_E.dat 67808 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/lammps_nb_DOXDOX.table 405 11-02-2022 12:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/log.cite 379923 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/log.lammps 158 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/log.txt 123379 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/potential_E.dat 125960 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/press.dat 553478 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/press_tens.dat 78 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/psi.dat 664 11-02-2022 12:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/psub.sh 94278 11-02-2022 13:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/state1.restart 94278 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/state2.restart 123400 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/temp.dat 123379 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/vdw_E.dat 123355 11-02-2022 13:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter8/vol.dat 0 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/ 18 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/AA_g_cnt.dat 0 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/CG_Q.dat 18 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/CG_g_cnt.dat 42 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/Q.dat 48929 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/angle_E.dat 48929 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/bond_E.dat 2658 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/cgDOX.lmp 598 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/config.ini 48929 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/coul_E.dat 33341 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/data.cgDOX 123423 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/enthalpy.dat 18 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/g_cnt.dat 378751 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/iter9.o39759126 123377 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/kinetic_E.dat 67808 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/lammps_nb_DOXDOX.table 405 11-02-2022 14:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/log.cite 379928 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/log.lammps 158 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/log.txt 123375 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/potential_E.dat 126142 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/press.dat 553271 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/press_tens.dat 78 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/psi.dat 664 11-02-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/psub.sh 94278 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/state1.restart 94278 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/state2.restart 123357 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/temp.dat 123375 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/vdw_E.dat 123398 11-02-2022 15:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/iter9/vol.dat 67808 10-31-2022 14:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/lammps_nb_DOXDOX.table 1086 10-31-2022 14:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/340K/pressurematch/pgo.sh 663 10-31-2022 14:33 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/ 378834 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/CG360_I0.o39732999 420 11-01-2022 09:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/CGvoldistro0.xvg 50 10-31-2022 15:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/Q.dat 48929 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/angle_E.dat 48929 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/bond_E.dat 2666 10-31-2022 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/cgDOX.lmp 780819 10-31-2022 15:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/cg_pressures.xvg 750811 10-31-2022 15:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/cg_volumes.xvg 581 10-31-2022 15:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/config.ini0 48929 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/coul_E.dat 33349 10-31-2022 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/data.cgDOX 123401 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/enthalpy.dat 18 10-31-2022 15:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/g_cnt.dat 123347 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/kinetic_E.dat 67848 10-31-2022 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/lammps_nb_DOXDOX.table 405 10-31-2022 15:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/log.cite 379939 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/log.lammps 79 10-31-2022 15:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/log.txt 123373 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/potential_E.dat 125893 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/press.dat 553234 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/press_tens.dat 77 10-31-2022 15:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/psi.dat 667 10-31-2022 15:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/psub.sh 94278 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/state1.restart 94278 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/state2.restart 123380 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/temp.dat 123373 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/vdw_E.dat 123396 10-31-2022 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter0/vol.dat 0 11-02-2022 09:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/ 18 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/AA_g_cnt.dat 0 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/CG_Q.dat 18 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/CG_g_cnt.dat 42 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/Q.dat 48929 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/angle_E.dat 48929 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/bond_E.dat 2659 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/cgDOX.lmp 49152 11-01-2022 13:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/checkonlog.lammps 598 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/config.ini 48929 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/coul_E.dat 33349 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/data.cgDOX 123376 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/enthalpy.dat 18 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/g_cnt.dat 378829 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/itertry2.o39746771 123365 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/kinetic_E.dat 67848 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/lammps_nb_DOXDOX.table 405 11-01-2022 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/log.cite 379927 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/log.lammps 158 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/log.txt 123371 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/potential_E.dat 125887 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/press.dat 553396 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/press_tens.dat 78 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/psi.dat 667 11-01-2022 13:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/psub.sh 94278 11-01-2022 14:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/state1.restart 94278 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/state2.restart 123401 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/temp.dat 123371 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/vdw_E.dat 123344 11-01-2022 14:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter1/vol.dat 0 11-02-2022 14:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/ 18 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/AA_g_cnt.dat 0 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/CG_Q.dat 18 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/CG_g_cnt.dat 42 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/Q.dat 48929 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/angle_E.dat 48929 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/bond_E.dat 2659 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/cgDOX.lmp 598 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/config.ini 48929 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/coul_E.dat 33349 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/data.cgDOX 123374 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/enthalpy.dat 18 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/g_cnt.dat 378752 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/iter2.o39747889 123354 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/kinetic_E.dat 67848 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/lammps_nb_DOXDOX.table 405 11-01-2022 15:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/log.cite 379930 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/log.lammps 158 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/log.txt 123400 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/potential_E.dat 125847 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/press.dat 553416 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/press_tens.dat 78 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/psi.dat 664 11-01-2022 15:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/psub.sh 94278 11-01-2022 16:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/state1.restart 94278 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/state2.restart 123336 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/temp.dat 123400 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/vdw_E.dat 123416 11-01-2022 16:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter2/vol.dat 0 11-02-2022 14:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/ 18 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/AA_g_cnt.dat 0 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/CG_Q.dat 18 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/CG_g_cnt.dat 42 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/Q.dat 48929 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/angle_E.dat 48929 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/bond_E.dat 2659 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/cgDOX.lmp 598 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/config.ini 48929 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/coul_E.dat 33349 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/data.cgDOX 123336 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/enthalpy.dat 18 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/g_cnt.dat 378753 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/iter3.o39755801 123379 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/kinetic_E.dat 67848 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/lammps_nb_DOXDOX.table 405 11-02-2022 09:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/log.cite 379931 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/log.lammps 158 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/log.txt 123349 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/potential_E.dat 125900 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/press.dat 553416 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/press_tens.dat 78 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/psi.dat 664 11-02-2022 09:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/psub.sh 94278 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/state1.restart 94278 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/state2.restart 123330 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/temp.dat 123349 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/vdw_E.dat 123379 11-02-2022 10:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter3/vol.dat 0 11-02-2022 14:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/ 18 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/AA_g_cnt.dat 0 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/CG_Q.dat 18 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/CG_g_cnt.dat 42 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/Q.dat 48929 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/angle_E.dat 48929 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/bond_E.dat 2659 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/cgDOX.lmp 598 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/config.ini 48929 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/coul_E.dat 33349 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/data.cgDOX 123382 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/enthalpy.dat 18 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/g_cnt.dat 378752 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/iter4.o39756767 123405 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/kinetic_E.dat 67848 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/lammps_nb_DOXDOX.table 405 11-02-2022 10:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/log.cite 379930 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/log.lammps 158 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/log.txt 123390 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/potential_E.dat 125892 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/press.dat 553359 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/press_tens.dat 78 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/psi.dat 664 11-02-2022 10:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/psub.sh 94278 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/state1.restart 94278 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/state2.restart 123391 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/temp.dat 123390 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/vdw_E.dat 123447 11-02-2022 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter4/vol.dat 0 11-02-2022 14:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/ 18 11-02-2022 11:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/AA_g_cnt.dat 0 11-02-2022 11:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/CG_Q.dat 18 11-02-2022 11:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/CG_g_cnt.dat 42 11-02-2022 11:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/Q.dat 48929 11-02-2022 12:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/angle_E.dat 48929 11-02-2022 12:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/bond_E.dat 2659 11-02-2022 11:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/cgDOX.lmp 598 11-02-2022 11:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/config.ini 48929 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/state2.restart 123384 11-02-2022 12:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/temp.dat 123330 11-02-2022 12:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/vdw_E.dat 123422 11-02-2022 12:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter5/vol.dat 0 10-03-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter6/ 18 11-02-2022 12:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter6/AA_g_cnt.dat 0 11-02-2022 12:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter6/CG_Q.dat 18 11-02-2022 12:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter6/CG_g_cnt.dat 171485 10-03-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/360K/pressurematch/iter6/PV.xvg 863 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10-24-2022 19:06 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/EQ/traj.trr 9761 05-21-2023 16:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/MB_via_force_gr.txt 9582 05-20-2023 20:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/Many_Body_Contribution_106.42011860624629_685.0.dat 95042 05-18-2023 20:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/Orientation_Info.agr 14718 05-08-2023 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/Single_Frame_Decorated_O-O_Dis.agr 250620 05-01-2023 15:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/aa.tpr 18536 05-18-2023 20:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/avg_orientation_106_380.xvg 481 10-24-2022 10:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/cg_DOX.top 661785 05-08-2023 12:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/chair_boat_frame.gro 661755 10-24-2022 10:19 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/FORCEMATCH.o39746146 0 12-13-2023 11:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/ 21603 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/FM98.out 599 05-24-2023 12:06 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/cg.btp 0 12-13-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/delta_basis_set/ 691 12-13-2023 11:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/delta_basis_set/FM98.out 599 12-13-2023 11:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/delta_basis_set/cg.btp 0 12-13-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/delta_basis_set/forcematchresults/ 2035 12-13-2023 11:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/delta_basis_set/forcematchresults/summarize_input.txt 78 12-13-2023 10:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/delta_basis_set/inp.txt 0 12-13-2023 11:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/delta_basis_set/log.txt 530 12-13-2023 10:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/delta_basis_set/par.txt 219 12-13-2023 11:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/delta_basis_set/progress.txt 748 12-13-2023 10:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/delta_basis_set/qsub.sh 14819 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/f_forces.Pair_Interaction.total.DOXDOX.dat 1508 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/f_forces_coeff.Pair_Interaction.total.DOXDOX.dat 14819 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/f_struct.Pair_Interaction.total.DOXDOX.dat 1508 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/f_struct_coeff.Pair_Interaction.total.DOXDOX.dat 0 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/ 14819 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/L.Pair_Interaction.total.DOXDOX.dat 1508 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/L_coeff.Pair_Interaction.total.DOXDOX.dat 8339 05-24-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/MB_from_YBGmath.xvg 82218 05-24-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/YBG_Math.agr 14819 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/b_forces.Pair_Interaction.total.DOXDOX.dat 1508 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/b_forces_coeff.Pair_Interaction.total.DOXDOX.dat 14819 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/b_struct.Pair_Interaction.total.DOXDOX.dat 1508 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/b_struct_coeff.Pair_Interaction.total.DOXDOX.dat 14819 07-07-2023 12:23 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/save.d2M.dat 1614 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/save.d2b.dat 1469 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/save.g.dat 1580 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/save.g_cnt.dat 1580 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/save.rescale.dat 2061 07-07-2023 12:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/forcematchresults/summarize_input.txt 75 05-24-2023 12:06 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/inp.txt 7911 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/log.txt 911 07-07-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/out.total.txt 531 05-24-2023 12:06 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/par.txt 2504 12-13-2023 11:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/progress.txt 748 05-24-2023 12:06 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/again_w_many_body/qsub.sh 599 11-01-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/cg.btp 1894 11-01-2022 12:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/cg.mdp 18540 11-01-2022 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/cg.tpr 481 11-01-2022 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/mapping/cg_DOX.top 88231 11-01-2022 12:31 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/AA_g_cnt.dat 0 11-02-2022 08:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/CG_Q.dat 18 11-02-2022 08:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/CG_g_cnt.dat 42 11-02-2022 08:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/Q.dat 48929 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/angle_E.dat 48929 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/bond_E.dat 2658 11-02-2022 08:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/cgDOX.lmp 598 11-02-2022 08:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/config.ini 48929 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/coul_E.dat 33337 11-02-2022 08:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/data.cgDOX 123406 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/enthalpy.dat 18 11-02-2022 08:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/g_cnt.dat 378755 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/iter2.o39754721 123391 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/kinetic_E.dat 67898 11-02-2022 08:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/lammps_nb_DOXDOX.table 405 11-02-2022 08:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/log.cite 379932 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/log.lammps 158 11-02-2022 08:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/log.txt 128375 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/potential_E.dat 125922 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/press.dat 553395 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/press_tens.dat 77 11-02-2022 08:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/psi.dat 664 11-02-2022 08:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/psub.sh 94278 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/state1.restart 94278 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/state2.restart 123386 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/temp.dat 128375 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/vdw_E.dat 123407 11-02-2022 09:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter2/vol.dat 0 12-12-2022 13:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/ 18 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/AA_g_cnt.dat 0 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/CG_Q.dat 18 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/CG_g_cnt.dat 42 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/Q.dat 48929 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/angle_E.dat 48929 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/bond_E.dat 2660 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/cgDOX.lmp 598 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/config.ini 48929 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/coul_E.dat 33337 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/data.cgDOX 123358 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/enthalpy.dat 18 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/g_cnt.dat 378750 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/iter3.o39755783 123329 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/kinetic_E.dat 67898 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/lammps_nb_DOXDOX.table 405 11-02-2022 09:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/log.cite 379929 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/log.lammps 158 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/log.txt 128374 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/potential_E.dat 125973 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/press.dat 553432 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/press_tens.dat 77 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/psi.dat 664 11-02-2022 09:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/psub.sh 94278 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/state1.restart 94278 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/state2.restart 123373 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/temp.dat 128374 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/vdw_E.dat 123404 11-02-2022 10:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter3/vol.dat 0 11-02-2022 14:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/ 18 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/AA_g_cnt.dat 0 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/CG_Q.dat 18 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/CG_g_cnt.dat 42 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/Q.dat 48929 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/angle_E.dat 48929 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/bond_E.dat 2660 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/cgDOX.lmp 598 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/config.ini 48929 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/coul_E.dat 33337 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/data.cgDOX 123416 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/enthalpy.dat 18 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/g_cnt.dat 378751 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/iter4.o39756713 123403 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/kinetic_E.dat 67898 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/lammps_nb_DOXDOX.table 405 11-02-2022 10:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/log.cite 379930 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/log.lammps 158 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/log.txt 128381 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/potential_E.dat 125923 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/press.dat 553307 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/press_tens.dat 77 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/psi.dat 664 11-02-2022 10:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/psub.sh 94278 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/state1.restart 94278 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/state2.restart 123362 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/temp.dat 128381 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/vdw_E.dat 123394 11-02-2022 11:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter4/vol.dat 0 11-02-2022 14:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/ 18 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/AA_g_cnt.dat 0 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/CG_Q.dat 18 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/CG_g_cnt.dat 42 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/Q.dat 48929 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/angle_E.dat 48929 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/bond_E.dat 2660 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/cgDOX.lmp 598 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/config.ini 48929 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/coul_E.dat 33337 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/data.cgDOX 123371 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/enthalpy.dat 18 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/g_cnt.dat 378755 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/iter5.o39757884 123387 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/kinetic_E.dat 67898 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/lammps_nb_DOXDOX.table 405 11-02-2022 11:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/log.cite 379934 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/log.lammps 158 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/log.txt 128386 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/potential_E.dat 125937 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/press.dat 553372 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/press_tens.dat 77 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/psi.dat 664 11-02-2022 11:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/psub.sh 94278 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/state1.restart 94278 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/state2.restart 123354 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/temp.dat 128386 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/vdw_E.dat 123368 11-02-2022 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter5/vol.dat 0 10-03-2023 19:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/ 18 11-02-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/AA_g_cnt.dat 0 11-02-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/CG_Q.dat 18 11-02-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/CG_g_cnt.dat 171376 10-03-2023 19:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/PV.xvg 933 09-04-2023 14:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/PVcurve.bw.0.25.dat 42 11-02-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/Q.dat 48929 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/angle_E.dat 48929 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/bond_E.dat 2658 07-15-2023 12:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/cgDOX.lmp 598 11-02-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/config.ini 48929 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/coul_E.dat 33337 11-02-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/data.cgDOX 123403 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/enthalpy.dat 18 11-02-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/g_cnt.dat 378755 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/iter6.o39758543 123390 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/kinetic_E.dat 67898 11-02-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/lammps_nb_DOXDOX.table 405 11-02-2022 12:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/log.cite 379932 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/log.lammps 158 11-02-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/log.txt 128348 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/potential_E.dat 125911 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/press.dat 553613 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/press_tens.dat 77 11-02-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/psi.dat 664 11-02-2022 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/psub.sh 94278 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/state1.restart 94278 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/state2.restart 123353 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/temp.dat 128348 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/vdw_E.dat 123327 11-02-2022 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/iter6/vol.dat 67898 11-01-2022 14:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/lammps_nb_DOXDOX.table 1086 11-01-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/pgo.sh 663 11-01-2022 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/psub.sh 0 08-08-2023 10:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/rerun/ 10442 11-01-2022 14:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/rerun/#index.ndx.1# 12099 11-01-2022 13:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/pressure_matching/rerun/#mdout.mdp.1# 1140888 08-08-2023 10:38 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/cubic6/log.cite 379941 12-12-2022 16:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/cubic6/log.lammps 158 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/cubic6/log.txt 128392 12-12-2022 16:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/cubic6/potential_E.dat 125986 12-12-2022 16:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/cubic6/press.dat 553329 12-12-2022 16:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/cubic6/press_tens.dat 77 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/cubic6/psi.dat 668 12-12-2022 15:06 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/cubic6/vol.dat 540 12-12-2022 21:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/gocheck.sh 0 12-12-2022 21:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/ 18 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/AA_g_cnt.dat 0 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/CG_Q.dat 18 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/CG_g_cnt.dat 42 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/Q.dat 48929 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/angle_E.dat 48929 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/bond_E.dat 2658 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/cgDOX.lmp 598 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/config.ini 48929 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/coul_E.dat 33337 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/data.cgDOX 123403 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/enthalpy.dat 18 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/g_cnt.dat 378755 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/iter6.o39758543 0 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/iter6/ 420 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/iter6/CG6distro.xvg 2186 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/iter6/PVcurve.bw.0.1.dat 123390 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/kinetic_E.dat 67898 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/lammps_nb_DOXDOX.table 405 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/log.cite 379932 12-12-2022 15:06 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/log.lammps 158 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/log.txt 128348 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/potential_E.dat 125911 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/press.dat 553613 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/press_tens.dat 77 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/psi.dat 664 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/psub.sh 94278 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/state1.restart 94278 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/state2.restart 123353 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/temp.dat 128348 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/vdw_E.dat 123327 12-12-2022 14:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/iter6/vol.dat 0 12-13-2022 11:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/ 18 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/AA_g_cnt.dat 0 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/CG_Q.dat 18 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/CG_g_cnt.dat 42 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/Q.dat 48929 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/angle_E.dat 48929 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/bond_E.dat 2670 12-12-2022 15:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/cgDOX.lmp 598 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/config.ini 48929 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/coul_E.dat 33337 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/data.cgDOX 123405 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/enthalpy.dat 18 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/g_cnt.dat 378755 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/iter6.o39758543 123304 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/kinetic_E.dat 67898 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/lammps_nb_DOXDOX.table 378670 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/lineartest.o40344767 405 12-12-2022 15:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/log.cite 379939 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/log.lammps 158 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/log.txt 128371 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/potential_E.dat 125943 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/press.dat 553260 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/press_tens.dat 77 12-12-2022 14:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/psi.dat 669 12-12-2022 15:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/psub.sh 94278 12-12-2022 18:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/state1.restart 94278 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/state2.restart 199508 12-12-2022 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/tabulated_pressure_correction_380.xvg 123383 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/temp.dat 128371 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/vdw_E.dat 123393 12-12-2022 18:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/linear6/vol.dat 199508 12-13-2022 11:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/tabulated_pressure_correction_380.xvg 184423 12-12-2022 14:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/tabulated_Analytic_pmatchtest/tabulated_volume_potential_380.xvg 196 10-24-2022 10:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/workflow.txt 24633 05-20-2023 20:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/diagnol_1bar/380K/xy_whole_rdf.xvg 0 01-27-2024 13:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/ 0 01-27-2024 13:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/ 0 01-27-2024 13:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/ 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/ 599 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/cg.btp 1894 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/cg_DOX.mdp 481 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/cg_DOX.top 661755 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/confout.gro 14819 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/f_forces.Pair_Interaction.total.DOXDOX.dat 1508 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/f_forces_coeff.Pair_Interaction.total.DOXDOX.dat 14819 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/f_struct.Pair_Interaction.total.DOXDOX.dat 1508 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/f_struct_coeff.Pair_Interaction.total.DOXDOX.dat 4399 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/fm_101 920 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematch.sh 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/ 14819 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/L.Pair_Interaction.total.DOXDOX.dat 1508 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/L_coeff.Pair_Interaction.total.DOXDOX.dat 14819 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/b_forces.Pair_Interaction.total.DOXDOX.dat 1508 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/b_forces_coeff.Pair_Interaction.total.DOXDOX.dat 14819 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/b_struct.Pair_Interaction.total.DOXDOX.dat 1508 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/b_struct_coeff.Pair_Interaction.total.DOXDOX.dat 14819 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/g.Pair_Interaction.total.DOXDOX.dat 14819 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/g_cnt.Pair_Interaction.total.DOXDOX.dat 1508 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/g_cnt_coeff.Pair_Interaction.total.DOXDOX.dat 1508 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/g_coeff.Pair_Interaction.total.DOXDOX.dat 23 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/save.FF.dat 68224 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/save.G.dat 1425 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/forcematchresults/save.L.dat 55252 01-26-2024 19:43 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/mappedaa.gro 1484569484 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/mappedaa.trr 911 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/out.total.txt 529 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/par.txt --------- ------- 1498331700 170 files ===================================================== Content of ZIP archive dioxane-data-055.zip ===================================================== Archive: dioxane-data-055.zip Length Date Time Name --------- ---------- ----- ---- 10361145360 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/mapandmatch/prod_traj_no_pbc.trr --------- ------- 10361145360 1 file ===================================================== Content of ZIP archive 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/Analysis/aa/PVcurve.bw.0.25.dat 415 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/Analysis/aa/aavoldis.xvg 762491 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/Analysis/aa/press.dat 25049 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/Analysis/aa/prod_rdf.xvg 750025 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/Analysis/aa/vol.dat 763306 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/aa_pressures.xvg 750844 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/aa_volumes.xvg 2658 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/cgDOX.lmp 591 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/config.ini 580 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/config.ini0 33340 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/data.cgDOX 100 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/delensemble.txt 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/ 50 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/bond_E.dat 2665 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/cgDOX.lmp 780864 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/cg_pressures.xvg 750843 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/cg_volumes.xvg 599 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/config.ini 580 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/config.ini0 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/coul_E.dat 33340 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/data.cgDOX 123386 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/g_cnt.dat 378036 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/iter0 123344 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/kinetic_E.dat 67800 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/log.cite 379939 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/log.lammps 79 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/log.txt 123369 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/potential_E.dat 123412 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/press.dat 553366 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/press_tens.dat 77 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/psi.dat 543 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/state2.restart 123375 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/temp.dat 123369 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/vdw_E.dat 123361 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter0/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/bond_E.dat 2666 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/coul_E.dat 33340 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/data.cgDOX 123365 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/g_cnt.dat 378035 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/iter1 123354 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/kinetic_E.dat 67800 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/log.cite 379939 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/log.txt 123384 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/potential_E.dat 123344 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/press.dat 553287 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/press_tens.dat 78 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/psi.dat 543 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/state2.restart 123400 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/temp.dat 123384 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/vdw_E.dat 123394 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter1/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/bond_E.dat 2666 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/coul_E.dat 33340 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/data.cgDOX 123368 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/g_cnt.dat 378033 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/iter2 123350 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/kinetic_E.dat 67800 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/log.cite 379937 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/log.txt 123403 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/potential_E.dat 123362 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/press.dat 553298 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/press_tens.dat 78 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/psi.dat 543 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/state2.restart 123334 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/temp.dat 123403 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/vdw_E.dat 123409 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter2/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/bond_E.dat 2666 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/coul_E.dat 33340 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/data.cgDOX 123399 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/g_cnt.dat 378032 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/iter3 123415 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/kinetic_E.dat 67800 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/log.cite 379936 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/log.txt 123337 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/potential_E.dat 123338 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/press.dat 553338 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/press_tens.dat 78 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/psi.dat 543 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/state2.restart 123352 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/temp.dat 123337 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/vdw_E.dat 123373 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter3/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/bond_E.dat 2666 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/coul_E.dat 33340 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/data.cgDOX 123387 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/g_cnt.dat 378032 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/iter4 123351 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/kinetic_E.dat 67800 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/log.cite 379936 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/log.txt 123329 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/potential_E.dat 123364 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/press.dat 553392 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/press_tens.dat 78 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/psi.dat 543 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/state2.restart 123345 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/temp.dat 123329 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/vdw_E.dat 123402 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter4/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/bond_E.dat 2666 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/coul_E.dat 33340 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/data.cgDOX 123315 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/g_cnt.dat 378035 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/iter5 123410 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/kinetic_E.dat 67800 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/log.cite 379939 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/log.txt 123368 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/potential_E.dat 123381 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/press.dat 553377 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/press_tens.dat 78 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/psi.dat 543 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/state2.restart 123413 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/temp.dat 123368 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/vdw_E.dat 123405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter5/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/bond_E.dat 2665 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/coul_E.dat 33340 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/data.cgDOX 123383 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/g_cnt.dat 378035 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/iter6 123353 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/kinetic_E.dat 67800 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/log.cite 379938 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/log.txt 17303060 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/outfile.xtc 123364 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/potential_E.dat 123345 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/press.dat 553359 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/press_tens.dat 78 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/psi.dat 543 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/state2.restart 123393 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/temp.dat 123364 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/vdw_E.dat 123354 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/iter6/vol.dat 67800 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/lammps_nb_DOXDOX.table 1088 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/360/pressurematching/pgo.sh 542 01-26-2024 19:43 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/Analysis/iter4/PVcurve.bw.0.1.dat 0 01-17-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/Analysis/iter5/ 413 01-17-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/Analysis/iter5/CG5distro.xvg 1378 01-17-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/Analysis/iter5/PVcurve.bw.0.1.dat 0 08-18-2023 09:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/Analysis/iter6/ 414 01-17-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/Analysis/iter6/CG6distro.xvg 1329 01-17-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/Analysis/iter6/PVcurve.bw.0.1.dat 763437 01-16-2023 19:12 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/aa_pressures.xvg 750824 01-16-2023 19:12 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/aa_volumes.xvg 2658 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/cgDOX.lmp 591 01-16-2023 19:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/config.ini 581 01-16-2023 19:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/config.ini0 33348 01-16-2023 19:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/data.cgDOX 540 01-16-2023 19:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/gocheck.sh 0 01-17-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/ 50 01-16-2023 19:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/Q.dat 382078 01-16-2023 19:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/aa_times.xvg 750849 01-16-2023 19:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/aa_volumes.xvg 48929 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/angle_E.dat 48929 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/bond_E.dat 2666 01-16-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/cgDOX.lmp 780830 01-16-2023 19:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/cg_pressures.xvg 382065 01-16-2023 19:11 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/cg_times.xvg 750850 01-16-2023 19:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/cg_volumes.xvg 599 01-16-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/config.ini 581 01-16-2023 19:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/config.ini0 48929 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/coul_E.dat 33348 01-16-2023 19:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/data.cgDOX 123377 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/enthalpy.dat 18 01-16-2023 19:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/g_cnt.dat 2108 01-16-2023 19:16 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/iter0.o40780335 378830 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/iter0.o40780385 123375 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/kinetic_E.dat 67798 01-16-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/lammps_nb_DOXDOX.table 405 01-16-2023 19:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/log.cite 379935 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/log.lammps 79 01-16-2023 19:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/log.txt 123368 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/potential_E.dat 123335 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/press.dat 553445 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/press_tens.dat 77 01-16-2023 19:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/psi.dat 664 01-16-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/psub.sh 94278 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/state1.restart 94278 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/state2.restart 123417 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/temp.dat 123368 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/vdw_E.dat 123340 01-16-2023 20:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter0/vol.dat 0 01-17-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/ 18 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/AA_g_cnt.dat 0 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/CG_Q.dat 18 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/CG_g_cnt.dat 42 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/Q.dat 48929 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/angle_E.dat 48929 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/bond_E.dat 2665 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/cgDOX.lmp 598 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/config.ini 48929 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/coul_E.dat 33348 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/data.cgDOX 123342 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/enthalpy.dat 18 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/g_cnt.dat 378750 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/iter1.o40780704 123328 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/kinetic_E.dat 67798 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/lammps_nb_DOXDOX.table 405 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/log.cite 379934 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/log.lammps 158 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/log.txt 123359 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/potential_E.dat 123356 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/press.dat 553437 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/press_tens.dat 78 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/psi.dat 664 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/psub.sh 94278 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/state1.restart 94278 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/state2.restart 123339 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/temp.dat 123359 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/vdw_E.dat 123384 01-16-2023 21:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter1/vol.dat 0 01-17-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/ 18 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/AA_g_cnt.dat 0 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/CG_Q.dat 18 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/CG_g_cnt.dat 42 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/Q.dat 48929 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/angle_E.dat 48929 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/bond_E.dat 2665 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/cgDOX.lmp 598 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/config.ini 48929 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/coul_E.dat 33348 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/data.cgDOX 123343 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/enthalpy.dat 18 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/g_cnt.dat 378752 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/iter2.o40781089 123387 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/kinetic_E.dat 67798 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/lammps_nb_DOXDOX.table 405 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/log.cite 379936 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/log.lammps 158 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/log.txt 123340 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/potential_E.dat 123375 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/press.dat 553302 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/press_tens.dat 78 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/psi.dat 664 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/psub.sh 94278 01-16-2023 22:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/state1.restart 94278 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/state2.restart 123347 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/temp.dat 123340 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/vdw_E.dat 123386 01-16-2023 22:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter2/vol.dat 0 01-17-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/ 18 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/AA_g_cnt.dat 0 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/CG_Q.dat 18 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/CG_g_cnt.dat 42 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/Q.dat 48929 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/angle_E.dat 48929 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/bond_E.dat 2665 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/cgDOX.lmp 598 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/config.ini 48929 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/coul_E.dat 33348 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/data.cgDOX 123372 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/enthalpy.dat 18 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/g_cnt.dat 31702 01-16-2023 22:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/iter3.o40781429 13632 01-16-2023 22:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/iter3.o40781439 378835 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/iter3.o40781450 123343 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/kinetic_E.dat 67798 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/lammps_nb_DOXDOX.table 405 01-16-2023 22:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/log.cite 379939 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/log.lammps 158 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/log.txt 123374 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/potential_E.dat 123335 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/press.dat 553268 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/press_tens.dat 78 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/psi.dat 664 01-16-2023 22:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/psub.sh 94278 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/state1.restart 94278 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/state2.restart 123388 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/temp.dat 123374 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/vdw_E.dat 123385 01-16-2023 23:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter3/vol.dat 0 01-17-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/ 18 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/AA_g_cnt.dat 0 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/CG_Q.dat 18 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/CG_g_cnt.dat 42 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/Q.dat 48929 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/angle_E.dat 48929 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/bond_E.dat 2665 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/cgDOX.lmp 598 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/config.ini 48929 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/coul_E.dat 33348 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/data.cgDOX 123349 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/enthalpy.dat 18 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/g_cnt.dat 378753 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/iter4.o40782033 123309 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/kinetic_E.dat 67798 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/lammps_nb_DOXDOX.table 405 01-17-2023 07:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/log.cite 379937 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/log.lammps 158 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/log.txt 123331 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/potential_E.dat 123389 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/press.dat 553294 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/press_tens.dat 78 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/psi.dat 664 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/psub.sh 94278 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/state1.restart 94278 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/state2.restart 123401 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/temp.dat 123331 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/vdw_E.dat 123369 01-17-2023 08:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter4/vol.dat 0 01-17-2023 19:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/ 18 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/AA_g_cnt.dat 0 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/CG_Q.dat 18 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/CG_g_cnt.dat 42 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/Q.dat 48929 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/angle_E.dat 48929 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/bond_E.dat 2665 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/cgDOX.lmp 598 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/config.ini 48929 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/coul_E.dat 33348 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/data.cgDOX 123362 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/enthalpy.dat 18 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/g_cnt.dat 378753 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/iter5.o40782133 123404 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/kinetic_E.dat 67798 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/lammps_nb_DOXDOX.table 405 01-17-2023 08:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/log.cite 379937 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/log.lammps 158 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/log.txt 123366 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/potential_E.dat 123378 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/press.dat 553244 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/press_tens.dat 78 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/psi.dat 664 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/psub.sh 94278 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/state1.restart 94278 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/state2.restart 123377 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/temp.dat 123366 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/vdw_E.dat 123423 01-17-2023 09:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter5/vol.dat 0 03-02-2023 15:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/ 18 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/AA_g_cnt.dat 0 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/CG_Q.dat 18 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/CG_g_cnt.dat 42 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/Q.dat 48929 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/angle_E.dat 48929 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/bond_E.dat 2665 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/cgDOX.lmp 598 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/config.ini 48929 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/coul_E.dat 33348 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/data.cgDOX 123384 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/enthalpy.dat 18 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/g_cnt.dat 378752 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/iter6.o40782255 123378 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/kinetic_E.dat 67798 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/lammps_nb_DOXDOX.table 405 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/log.cite 379936 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/log.lammps 158 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/log.txt 123352 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/potential_E.dat 123401 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/press.dat 553328 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/press_tens.dat 78 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/psi.dat 664 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/psub.sh 94278 01-17-2023 14:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/state1.restart 94278 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/state2.restart 123391 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/temp.dat 123352 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/vdw_E.dat 123365 01-17-2023 14:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6/vol.dat 0 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/ 18 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/AA_g_cnt.dat 0 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/CG_Q.dat 18 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/CG_g_cnt.dat 42 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/Q.dat 48929 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/angle_E.dat 48929 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/bond_E.dat 2665 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/cgDOX.lmp 598 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/config.ini 48929 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/coul_E.dat 33348 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/data.cgDOX 123384 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/enthalpy.dat 18 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/g_cnt.dat 378834 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/iter6a101.o40783232 123378 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/kinetic_E.dat 67798 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/lammps_nb_DOXDOX.table 405 01-17-2023 12:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/log.cite 379938 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/log.lammps 158 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/log.txt 123352 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/potential_E.dat 123401 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/press.dat 553328 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/press_tens.dat 78 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/psi.dat 668 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/psub.sh 94278 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/state1.restart 94278 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/state2.restart 123391 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/temp.dat 123352 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/vdw_E.dat 123365 01-17-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6a/vol.dat 0 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/ 18 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/AA_g_cnt.dat 0 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/CG_Q.dat 18 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/CG_g_cnt.dat 42 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/Q.dat 48929 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/angle_E.dat 48929 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/bond_E.dat 2665 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/cgDOX.lmp 598 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/config.ini 48929 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/coul_E.dat 33348 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/data.cgDOX 123384 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/enthalpy.dat 18 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/g_cnt.dat 379121 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/iter6aa101.o40783234 123378 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/kinetic_E.dat 67798 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/lammps_nb_DOXDOX.table 405 01-17-2023 12:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/log.cite 379937 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/log.lammps 158 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/log.txt 123352 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/potential_E.dat 123401 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/press.dat 553328 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/press_tens.dat 78 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/psi.dat 669 01-17-2023 12:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/psub.sh 94278 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/state1.restart 94278 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/state2.restart 123391 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/temp.dat 123352 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/vdw_E.dat 123365 01-17-2023 23:10 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/iter6aa/vol.dat 67798 01-16-2023 18:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/lammps_nb_DOXDOX.table 1086 01-16-2023 20:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/pgo.sh 663 01-16-2023 19:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/psub.sh 0 08-11-2023 11:16 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/rerun/ 1140914 08-08-2023 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/rerun/380_101_PVrerun.xvg 5612 01-16-2023 16:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/rerun/DOXrerun101.o40779074 7430 01-16-2023 16:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/rerun/DOXrerun101.o40779090 481 01-16-2023 16:37 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/rerun/lammps_nb_DOXDOX.table 47313 01-16-2023 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/rerun/mappedaa.gro 1484569484 01-16-2023 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/rerun/mappedaa.trr 12231351 01-16-2023 16:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/rerun/md.log 12142 01-16-2023 16:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/rerun/mdout.mdp 6721116 01-16-2023 16:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/rerun/rerun.edr 18236 01-16-2023 16:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/101/380/pressure_matching/rerun/rerun.tpr 170444 01-16-2023 16:37 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter0/PVcurve.bw.0.1.dat 0 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter1/ 420 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter1/CG1distro.xvg 1590 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter1/PVcurve.bw.0.1.dat 0 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter2/ 420 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter2/CG2distro.xvg 1520 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter2/PVcurve.bw.0.1.dat 0 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter3/ 420 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter3/CG3distro.xvg 1635 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter3/PVcurve.bw.0.1.dat 0 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter4/ 420 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter4/CG4distro.xvg 1620 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter4/PVcurve.bw.0.1.dat 0 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter5/ 420 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter5/CG5distro.xvg 1616 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter5/PVcurve.bw.0.1.dat 0 08-18-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter6/ 420 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter6/CG6distro.xvg 1695 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/Analysis/iter6/PVcurve.bw.0.1.dat 763710 01-16-2023 18:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/aa_pressures.xvg 750816 01-16-2023 18:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/aa_volumes.xvg 2659 01-16-2023 21:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/cgDOX.lmp 591 01-16-2023 18:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/config.ini 581 01-16-2023 18:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/config.ini0 33350 01-16-2023 21:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/data.cgDOX 540 01-16-2023 18:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/gocheck.sh 0 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/ 50 01-16-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/Q.dat 763710 01-16-2023 18:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/aa_pressures.xvg 382065 01-16-2023 18:58 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/aa_times.xvg 750816 01-16-2023 18:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/aa_volumes.xvg 48929 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/angle_E.dat 48929 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/bond_E.dat 2667 01-16-2023 20:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/cgDOX.lmp 780830 01-16-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/cg_pressures.xvg 316129 01-16-2023 18:58 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/cg_times.xvg 750845 01-16-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/cg_volumes.xvg 599 01-16-2023 19:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/config.ini 581 01-16-2023 18:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/config.ini0 48929 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/coul_E.dat 33350 01-16-2023 20:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/data.cgDOX 123390 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/enthalpy.dat 18 01-16-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/g_cnt.dat 2107 01-16-2023 19:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/iter0.o40780413 2318 01-16-2023 20:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/iter0.o40780538 2785 01-16-2023 20:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/iter0.o40780676 378673 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/iter0.o40780693 123412 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/kinetic_E.dat 67842 01-16-2023 20:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/lammps_nb_DOXDOX.table 405 01-16-2023 20:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/log.cite 379939 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/log.lammps 79 01-16-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/log.txt 123371 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/potential_E.dat 123372 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/press.dat 553326 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/press_tens.dat 77 01-16-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/psi.dat 664 01-16-2023 19:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/psub.sh 94278 01-16-2023 21:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/state1.restart 94278 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/state2.restart 123356 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/temp.dat 123371 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/vdw_E.dat 123345 01-16-2023 21:26 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter0/vol.dat 0 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/ 18 01-16-2023 21:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/AA_g_cnt.dat 0 01-16-2023 21:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/CG_Q.dat 18 01-16-2023 21:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/CG_g_cnt.dat 42 01-16-2023 21:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/Q.dat 48929 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/angle_E.dat 48929 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/bond_E.dat 2666 01-16-2023 21:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/cgDOX.lmp 598 01-16-2023 21:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/config.ini 48929 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/coul_E.dat 33350 01-16-2023 21:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/data.cgDOX 123377 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/enthalpy.dat 18 01-16-2023 21:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/g_cnt.dat 2108 01-16-2023 21:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/iter1.o40781088 378832 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/iter1.o40781091 123401 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/kinetic_E.dat 67842 01-16-2023 21:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/lammps_nb_DOXDOX.table 405 01-16-2023 21:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/log.cite 379937 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/log.lammps 158 01-16-2023 21:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/log.txt 123369 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/potential_E.dat 123358 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/press.dat 553406 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/press_tens.dat 78 01-16-2023 21:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/psi.dat 664 01-16-2023 21:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/psub.sh 94278 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/state1.restart 94278 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/state2.restart 123358 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/temp.dat 123369 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/vdw_E.dat 123387 01-16-2023 22:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter1/vol.dat 0 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/ 18 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/AA_g_cnt.dat 0 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/CG_Q.dat 18 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/CG_g_cnt.dat 42 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/Q.dat 48929 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/angle_E.dat 48929 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/bond_E.dat 2666 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/cgDOX.lmp 598 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/config.ini 48929 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/coul_E.dat 33350 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/data.cgDOX 123359 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/enthalpy.dat 18 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/g_cnt.dat 378753 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/iter2.o40781436 123348 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/kinetic_E.dat 67842 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/lammps_nb_DOXDOX.table 405 01-16-2023 22:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/log.cite 379938 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/log.lammps 158 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/log.txt 123357 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/potential_E.dat 123396 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/press.dat 553456 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/press_tens.dat 78 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/psi.dat 664 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/psub.sh 94278 01-16-2023 23:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/state1.restart 94278 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/state2.restart 123359 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/temp.dat 123357 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/vdw_E.dat 123392 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter2/vol.dat 0 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/ 18 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/AA_g_cnt.dat 0 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/CG_Q.dat 18 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/CG_g_cnt.dat 42 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/Q.dat 48929 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/angle_E.dat 48929 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/bond_E.dat 2666 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/cgDOX.lmp 598 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/config.ini 48929 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/coul_E.dat 33350 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/data.cgDOX 123399 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/enthalpy.dat 18 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/g_cnt.dat 378829 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/iter3aa.o40782201 123393 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/kinetic_E.dat 67842 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/lammps_nb_DOXDOX.table 405 01-17-2023 09:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/log.cite 379934 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/log.lammps 158 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/log.txt 123400 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/potential_E.dat 123363 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/press.dat 553349 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/press_tens.dat 78 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/psi.dat 666 01-17-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/psub.sh 94278 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/state1.restart 94278 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/state2.restart 123390 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/temp.dat 123400 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/vdw_E.dat 123349 01-17-2023 10:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter3/vol.dat 0 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/ 18 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/AA_g_cnt.dat 0 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/CG_Q.dat 18 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/CG_g_cnt.dat 42 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/Q.dat 48929 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/angle_E.dat 48929 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/bond_E.dat 2666 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/cgDOX.lmp 598 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/config.ini 48929 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/coul_E.dat 33350 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/data.cgDOX 123406 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/enthalpy.dat 18 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/g_cnt.dat 378752 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/iter4.o40782486 123417 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/kinetic_E.dat 67842 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/lammps_nb_DOXDOX.table 405 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/log.cite 379937 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/log.lammps 158 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/log.txt 123364 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/potential_E.dat 123396 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/press.dat 553373 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/press_tens.dat 78 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/psi.dat 664 01-17-2023 10:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/psub.sh 94278 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/state1.restart 94278 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/state2.restart 123415 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/temp.dat 123364 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/vdw_E.dat 123351 01-17-2023 15:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4/vol.dat 0 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/ 18 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/AA_g_cnt.dat 0 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/CG_Q.dat 18 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/CG_g_cnt.dat 42 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/Q.dat 48929 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/angle_E.dat 48929 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/bond_E.dat 2666 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/cgDOX.lmp 598 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/config.ini 48929 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/coul_E.dat 33350 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/data.cgDOX 123406 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/enthalpy.dat 18 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/g_cnt.dat 378834 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/iter4a.o40783240 123417 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/kinetic_E.dat 67842 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/lammps_nb_DOXDOX.table 405 01-17-2023 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/log.cite 379939 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/log.lammps 158 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/log.txt 123364 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/potential_E.dat 123396 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/press.dat 553373 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/press_tens.dat 78 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/psi.dat 665 01-17-2023 12:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/psub.sh 94278 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/state1.restart 94278 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/state2.restart 123415 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/temp.dat 123364 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/vdw_E.dat 123351 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4a/vol.dat 0 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/ 18 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/AA_g_cnt.dat 0 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/CG_Q.dat 18 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/CG_g_cnt.dat 42 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/Q.dat 48929 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/angle_E.dat 48929 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/bond_E.dat 2666 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/cgDOX.lmp 598 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/config.ini 48929 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/coul_E.dat 33350 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/data.cgDOX 123406 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/enthalpy.dat 18 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/g_cnt.dat 378834 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/iter4aa.o40783239 123417 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/kinetic_E.dat 67842 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/lammps_nb_DOXDOX.table 405 01-17-2023 12:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/log.cite 379939 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/log.lammps 158 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/log.txt 123364 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/potential_E.dat 123396 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/press.dat 553373 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/press_tens.dat 78 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/psi.dat 666 01-17-2023 12:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/psub.sh 94278 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/state1.restart 94278 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/state2.restart 123415 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/temp.dat 123364 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/vdw_E.dat 123351 01-17-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter4aa/vol.dat 0 01-17-2023 19:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/ 18 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/AA_g_cnt.dat 0 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/CG_Q.dat 18 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/CG_g_cnt.dat 42 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/Q.dat 48929 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/angle_E.dat 48929 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/bond_E.dat 2666 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/cgDOX.lmp 598 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/config.ini 48929 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/coul_E.dat 33350 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/data.cgDOX 123388 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/enthalpy.dat 18 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/g_cnt.dat 378753 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/iter5.o40784951 123381 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/kinetic_E.dat 67842 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/lammps_nb_DOXDOX.table 405 01-17-2023 15:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/log.cite 379938 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/log.lammps 158 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/log.txt 123376 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/potential_E.dat 123388 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/press.dat 553431 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/press_tens.dat 78 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/psi.dat 664 01-17-2023 15:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/psub.sh 94278 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/state1.restart 94278 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/state2.restart 123429 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/temp.dat 123376 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/vdw_E.dat 123354 01-17-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter5/vol.dat 0 01-17-2023 19:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/ 18 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/AA_g_cnt.dat 0 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/CG_Q.dat 18 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/CG_g_cnt.dat 42 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/Q.dat 48929 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/angle_E.dat 48929 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/bond_E.dat 2666 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/cgDOX.lmp 598 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/config.ini 48929 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/coul_E.dat 33350 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/data.cgDOX 123364 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/enthalpy.dat 18 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/g_cnt.dat 123381 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/kinetic_E.dat 67842 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/lammps_nb_DOXDOX.table 405 01-17-2023 18:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/log.cite 379941 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/log.lammps 158 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/log.txt 123372 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/potential_E.dat 123430 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/press.dat 553365 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/press_tens.dat 78 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/psi.dat 666 01-17-2023 18:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/psub.sh 94278 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/state1.restart 94278 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/state2.restart 123366 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/temp.dat 123372 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/vdw_E.dat 123385 01-17-2023 19:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/iter6/vol.dat 67842 01-16-2023 20:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/lammps_nb_DOXDOX.table 1086 01-16-2023 21:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/pgo.sh 663 01-16-2023 18:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/psub.sh 0 08-08-2023 10:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/rerun/ 649691 01-16-2023 18:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/rerun/#cg_pressures.xvg.1# 624026 01-16-2023 18:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/rerun/#cg_volumes.xvg.1# 6692 01-16-2023 16:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/rerun/#md.log.1# 10836973 01-16-2023 19:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/103/380/pressure_matching/rerun/#md.log.2# 11092 01-16-2023 16:43 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/enthalpy.dat 18 01-15-2023 16:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/g_cnt.dat 378751 01-15-2023 17:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/iter0.o40761202 123443 01-15-2023 17:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/kinetic_E.dat 67780 01-15-2023 16:08 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/lammps_nb_DOXDOX.table 405 01-15-2023 16:09 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/log.cite 379941 01-15-2023 17:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/log.lammps 79 01-15-2023 16:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/log.txt 123374 01-15-2023 17:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/potential_E.dat 123372 01-15-2023 17:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/press.dat 553206 01-15-2023 17:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/press_tens.dat 76 01-15-2023 16:07 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/psi.dat 664 01-15-2023 16:08 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/psub.sh 94278 01-15-2023 17:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/state1.restart 94278 01-15-2023 17:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/state2.restart 123368 01-15-2023 17:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/temp.dat 123374 01-15-2023 17:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/vdw_E.dat 123376 01-15-2023 17:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter0/vol.dat 0 01-17-2023 21:03 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/ 18 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/AA_g_cnt.dat 0 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/CG_Q.dat 18 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/CG_g_cnt.dat 42 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/Q.dat 48929 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/angle_E.dat 48929 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/bond_E.dat 2671 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/cgDOX.lmp 598 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/config.ini 48929 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/coul_E.dat 33325 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/data.cgDOX 123424 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/enthalpy.dat 18 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/g_cnt.dat 123369 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/kinetic_E.dat 67780 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/lammps_nb_DOXDOX.table 405 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/log.cite 379944 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/log.lammps 158 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/log.txt 123360 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/potential_E.dat 123358 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/press.dat 553437 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/press_tens.dat 78 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/psi.dat 664 01-15-2023 22:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/psub.sh 94278 01-15-2023 23:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/state1.restart 94278 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/state2.restart 123379 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/temp.dat 123360 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/vdw_E.dat 123350 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter1/vol.dat 0 01-17-2023 21:03 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/ 18 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/AA_g_cnt.dat 0 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/CG_Q.dat 18 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/CG_g_cnt.dat 42 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/Q.dat 48929 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/angle_E.dat 48929 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/bond_E.dat 2671 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/cgDOX.lmp 598 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/config.ini 48929 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/coul_E.dat 33325 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/data.cgDOX 123376 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/enthalpy.dat 18 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/g_cnt.dat 56976 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/iter2.o40772441 378832 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/iter2a.o40779099 123374 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/kinetic_E.dat 67780 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/lammps_nb_DOXDOX.table 405 01-16-2023 16:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/log.cite 379942 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/log.lammps 40960 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/log.lammps2 158 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/log.txt 123356 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/potential_E.dat 123363 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/press.dat 553246 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/press_tens.dat 78 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/psi.dat 665 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/psub.sh 94278 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/state1.restart 94278 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/state2.restart 123344 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/temp.dat 123356 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/vdw_E.dat 123368 01-16-2023 17:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter2/vol.dat 0 01-17-2023 21:03 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/ 18 01-16-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/AA_g_cnt.dat 0 01-16-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/CG_Q.dat 18 01-16-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/CG_g_cnt.dat 42 01-16-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/Q.dat 48929 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/angle_E.dat 48929 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/bond_E.dat 2671 01-16-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/cgDOX.lmp 598 01-16-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/config.ini 48929 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/coul_E.dat 33325 01-16-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/data.cgDOX 123399 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/enthalpy.dat 18 01-16-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/g_cnt.dat 378832 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/iter3aa.o40780728 123376 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/kinetic_E.dat 67780 01-16-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/lammps_nb_DOXDOX.table 405 01-16-2023 20:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/log.cite 379942 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/log.lammps 158 01-16-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/log.txt 123407 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/potential_E.dat 123361 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/press.dat 553425 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/press_tens.dat 78 01-16-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/psi.dat 666 01-16-2023 20:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/psub.sh 94278 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/state1.restart 94278 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/state2.restart 123372 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/temp.dat 123407 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/vdw_E.dat 123361 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter3/vol.dat 0 01-17-2023 21:03 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/ 18 01-16-2023 21:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/AA_g_cnt.dat 0 01-16-2023 21:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/CG_Q.dat 18 01-16-2023 21:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/CG_g_cnt.dat 42 01-16-2023 21:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/Q.dat 48929 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/angle_E.dat 48929 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/bond_E.dat 2670 01-16-2023 21:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/cgDOX.lmp 598 01-16-2023 21:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/config.ini 48929 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/coul_E.dat 33325 01-16-2023 21:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/data.cgDOX 123400 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/enthalpy.dat 18 01-16-2023 21:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/g_cnt.dat 17889 01-16-2023 22:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/iter4.o40781093 306731 01-17-2023 09:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/iter4.o40781446 378831 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/iter4_today.o40782206 123393 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/kinetic_E.dat 67780 01-16-2023 21:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/lammps_nb_DOXDOX.table 405 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/log.cite 379940 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/log.lammps 158 01-16-2023 21:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/log.txt 123374 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/potential_E.dat 123332 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/press.dat 553332 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/press_tens.dat 78 01-16-2023 21:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/psi.dat 670 01-17-2023 09:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/psub.sh 94278 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/state1.restart 94278 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/state2.restart 123351 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/temp.dat 123374 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/vdw_E.dat 123411 01-17-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter4/vol.dat 0 01-17-2023 21:03 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/ 18 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/AA_g_cnt.dat 0 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/CG_Q.dat 18 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/CG_g_cnt.dat 42 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/Q.dat 48929 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/angle_E.dat 48929 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/bond_E.dat 2669 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/cgDOX.lmp 598 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/config.ini 48929 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/coul_E.dat 33325 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/data.cgDOX 123374 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/enthalpy.dat 18 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/g_cnt.dat 378753 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/iter5.o40782494 123373 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/kinetic_E.dat 67780 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/lammps_nb_DOXDOX.table 405 01-17-2023 10:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/log.cite 379941 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/log.lammps 158 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/log.txt 123346 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/potential_E.dat 123341 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/press.dat 553247 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/press_tens.dat 78 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/psi.dat 664 01-17-2023 10:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/psub.sh 94278 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/state1.restart 94278 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/state2.restart 123394 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/temp.dat 123346 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/vdw_E.dat 123358 01-17-2023 11:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter5/vol.dat 0 07-22-2023 12:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/ 18 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/AA_g_cnt.dat 0 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/CG_Q.dat 18 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/CG_g_cnt.dat 42 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/Q.dat 48929 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/angle_E.dat 48929 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/bond_E.dat 2671 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/cgDOX.lmp 598 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/config.ini 48929 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/coul_E.dat 33325 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/data.cgDOX 123350 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/enthalpy.dat 18 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/g_cnt.dat 378751 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/iter6.o40782838 123389 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/kinetic_E.dat 67780 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/lammps_nb_DOXDOX.table 405 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/log.cite 379941 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/log.lammps 158 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/log.txt 123341 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/potential_E.dat 123313 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/press.dat 553415 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/press_tens.dat 78 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/psi.dat 664 01-17-2023 12:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/psub.sh 94278 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/state1.restart 94278 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/state2.restart 123381 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/temp.dat 123341 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/vdw_E.dat 123358 01-17-2023 13:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/iter6/vol.dat 67780 01-15-2023 15:12 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/320/pressure_matching/lammps_nb_DOXDOX.table 1086 01-15-2023 22:21 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter0/vol.dat 0 01-16-2023 20:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/ 18 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/AA_g_cnt.dat 0 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/CG_Q.dat 18 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/CG_g_cnt.dat 42 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/Q.dat 48929 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/angle_E.dat 48929 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/bond_E.dat 2670 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/cgDOX.lmp 598 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/config.ini 48929 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/coul_E.dat 33333 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/data.cgDOX 123400 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/enthalpy.dat 18 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/g_cnt.dat 378751 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/iter1.o40772440 123342 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/kinetic_E.dat 67783 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/lammps_nb_DOXDOX.table 405 01-16-2023 09:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/log.cite 379940 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/log.lammps 158 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/log.txt 123415 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/potential_E.dat 123376 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/press.dat 553356 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/press_tens.dat 78 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/psi.dat 664 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/psub.sh 94278 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/state1.restart 94278 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/state2.restart 123371 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/temp.dat 123415 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/vdw_E.dat 123395 01-16-2023 10:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter1/vol.dat 0 01-16-2023 20:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/ 18 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/AA_g_cnt.dat 0 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/CG_Q.dat 18 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/CG_g_cnt.dat 42 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/Q.dat 48929 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/angle_E.dat 48929 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/bond_E.dat 2670 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/cgDOX.lmp 598 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/config.ini 48929 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/coul_E.dat 33333 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/data.cgDOX 123356 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/enthalpy.dat 18 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/g_cnt.dat 378749 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/iter2.o40775025 123383 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/kinetic_E.dat 67783 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/lammps_nb_DOXDOX.table 405 01-16-2023 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/log.cite 379938 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/log.lammps 158 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/log.txt 123402 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/potential_E.dat 123394 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/press.dat 553309 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/press_tens.dat 78 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/psi.dat 664 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/psub.sh 94278 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/state1.restart 94278 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/state2.restart 123416 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/temp.dat 123402 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/vdw_E.dat 123408 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter2/vol.dat 0 01-16-2023 20:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/ 18 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/AA_g_cnt.dat 0 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/CG_Q.dat 18 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/CG_g_cnt.dat 42 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/Q.dat 48929 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/angle_E.dat 48929 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/bond_E.dat 2670 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/cgDOX.lmp 598 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/config.ini 48929 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/coul_E.dat 33333 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/data.cgDOX 123369 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/enthalpy.dat 18 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/g_cnt.dat 378753 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/iter3.o40775384 123368 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/kinetic_E.dat 67783 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/lammps_nb_DOXDOX.table 405 01-16-2023 12:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/log.cite 379942 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/log.lammps 158 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/log.txt 123380 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/potential_E.dat 123357 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/press.dat 553173 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/press_tens.dat 78 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/psi.dat 664 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/psub.sh 94278 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/state1.restart 94278 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/state2.restart 123355 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/temp.dat 123380 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/vdw_E.dat 123372 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter3/vol.dat 0 01-16-2023 20:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/ 18 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/AA_g_cnt.dat 0 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/CG_Q.dat 18 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/CG_g_cnt.dat 42 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/Q.dat 48929 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/angle_E.dat 48929 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/bond_E.dat 2670 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/cgDOX.lmp 598 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/config.ini 48929 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/coul_E.dat 33333 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/data.cgDOX 123386 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/enthalpy.dat 18 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/g_cnt.dat 123359 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/kinetic_E.dat 67783 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/lammps_nb_DOXDOX.table 405 01-16-2023 13:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/log.cite 379943 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/log.lammps 158 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/log.txt 123382 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/potential_E.dat 123381 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/press.dat 553398 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/press_tens.dat 78 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/psi.dat 664 01-16-2023 13:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/psub.sh 94278 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/state1.restart 94278 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/state2.restart 123347 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/temp.dat 123382 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/vdw_E.dat 123397 01-16-2023 14:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter4/vol.dat 0 01-16-2023 20:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/ 18 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/AA_g_cnt.dat 0 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/CG_Q.dat 18 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/CG_g_cnt.dat 42 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/Q.dat 48929 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/angle_E.dat 48929 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/bond_E.dat 2670 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/cgDOX.lmp 598 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/config.ini 48929 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/coul_E.dat 33333 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/data.cgDOX 123363 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/enthalpy.dat 18 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/g_cnt.dat 378754 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/iter5.o40778817 123355 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/kinetic_E.dat 67783 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/lammps_nb_DOXDOX.table 405 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/log.cite 379943 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/log.lammps 158 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/log.txt 123381 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/potential_E.dat 123358 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/press.dat 553219 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/press_tens.dat 78 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/psi.dat 664 01-16-2023 15:38 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/psub.sh 94278 01-16-2023 16:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/state1.restart 94278 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/state2.restart 123385 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/temp.dat 123381 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/vdw_E.dat 123368 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter5/vol.dat 0 01-17-2023 21:14 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/ 18 01-16-2023 16:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/AA_g_cnt.dat 0 01-16-2023 16:47 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/coul_E.dat 33333 01-16-2023 16:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/data.cgDOX 123356 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/enthalpy.dat 18 01-16-2023 16:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/g_cnt.dat 378754 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/iter6.o40779098 123390 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/kinetic_E.dat 67783 01-16-2023 16:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/lammps_nb_DOXDOX.table 405 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/log.cite 379943 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/log.lammps 158 01-16-2023 16:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/log.txt 123383 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/potential_E.dat 123359 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/press.dat 553190 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/press_tens.dat 78 01-16-2023 16:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/psi.dat 664 01-16-2023 16:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/psub.sh 94278 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/state1.restart 94278 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/state2.restart 123421 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/temp.dat 123383 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/vdw_E.dat 123362 01-16-2023 17:44 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/iter6/vol.dat 67783 01-15-2023 15:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/340/pressure_matching/lammps_nb_DOXDOX.table 1086 01-15-2023 15:51 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter0/vdw_E.dat 123357 01-15-2023 16:59 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter0/vol.dat 0 01-16-2023 20:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/ 18 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/AA_g_cnt.dat 0 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/CG_Q.dat 18 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/CG_g_cnt.dat 42 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/Q.dat 48929 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/angle_E.dat 48929 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/bond_E.dat 2672 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/cgDOX.lmp 598 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/config.ini 48929 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/coul_E.dat 33331 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/data.cgDOX 123315 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/enthalpy.dat 18 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/g_cnt.dat 378754 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/iter1.o40763913 123353 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/kinetic_E.dat 67787 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/lammps_nb_DOXDOX.table 405 01-15-2023 22:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/log.cite 379945 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/log.lammps 158 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/log.txt 123390 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/potential_E.dat 123363 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/press.dat 553258 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/press_tens.dat 78 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/psi.dat 664 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/psub.sh 94278 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/state1.restart 94278 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/state2.restart 123453 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/temp.dat 123390 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/vdw_E.dat 123363 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter1/vol.dat 0 01-16-2023 20:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/ 18 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/AA_g_cnt.dat 0 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/CG_Q.dat 18 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/CG_g_cnt.dat 42 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/Q.dat 48929 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/angle_E.dat 48929 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/bond_E.dat 2672 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/cgDOX.lmp 598 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/config.ini 48929 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/coul_E.dat 33331 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/data.cgDOX 123349 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/enthalpy.dat 18 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/g_cnt.dat 378752 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/iter2.o40772442 123337 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/kinetic_E.dat 67787 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/lammps_nb_DOXDOX.table 405 01-16-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/log.cite 379943 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/log.lammps 158 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/log.txt 123365 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/potential_E.dat 123389 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/press.dat 553259 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/press_tens.dat 78 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/psi.dat 664 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/psub.sh 94278 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/state1.restart 94278 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/state2.restart 123390 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/temp.dat 123365 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/vdw_E.dat 123356 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter2/vol.dat 0 01-16-2023 20:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/ 18 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/AA_g_cnt.dat 0 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/CG_Q.dat 18 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/CG_g_cnt.dat 42 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/Q.dat 48929 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/angle_E.dat 48929 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/bond_E.dat 2672 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/cgDOX.lmp 598 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/config.ini 48929 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/coul_E.dat 33331 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/data.cgDOX 123391 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/enthalpy.dat 18 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/g_cnt.dat 378753 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/iter3.o40775026 123400 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/kinetic_E.dat 67787 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/lammps_nb_DOXDOX.table 405 01-16-2023 11:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/log.cite 379944 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/log.lammps 158 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/log.txt 123378 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/potential_E.dat 123364 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/press.dat 553384 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/press_tens.dat 78 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/psi.dat 664 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/psub.sh 94278 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/state1.restart 94278 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/state2.restart 123395 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/temp.dat 123378 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/vdw_E.dat 123347 01-16-2023 12:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter3/vol.dat 0 01-16-2023 20:42 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/ 18 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/AA_g_cnt.dat 0 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/CG_Q.dat 18 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/CG_g_cnt.dat 42 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/Q.dat 48929 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/angle_E.dat 48929 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/bond_E.dat 2672 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/cgDOX.lmp 598 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/config.ini 48929 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/coul_E.dat 33331 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/data.cgDOX 123378 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/enthalpy.dat 18 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/g_cnt.dat 378750 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/iter4.o40775371 123365 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/kinetic_E.dat 67787 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/lammps_nb_DOXDOX.table 405 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/log.cite 379941 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/log.lammps 158 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/log.txt 123361 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/potential_E.dat 123363 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/press.dat 553381 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/press_tens.dat 78 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/psi.dat 664 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/psub.sh 94278 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/state1.restart 94278 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/state2.restart 123428 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/temp.dat 123361 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/vdw_E.dat 123352 01-16-2023 13:29 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter4/vol.dat 0 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/ 18 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/AA_g_cnt.dat 0 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/CG_Q.dat 18 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/CG_g_cnt.dat 42 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/Q.dat 48929 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/angle_E.dat 48929 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/bond_E.dat 2672 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/cgDOX.lmp 598 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/config.ini 48929 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/coul_E.dat 33331 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/data.cgDOX 123403 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/enthalpy.dat 18 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/g_cnt.dat 378753 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/iter5.o40775922 123360 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/kinetic_E.dat 67787 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/lammps_nb_DOXDOX.table 405 01-16-2023 13:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/log.cite 379944 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/log.lammps 158 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/log.txt 123375 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/potential_E.dat 123369 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/press.dat 553412 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/press_tens.dat 78 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/psi.dat 664 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/psub.sh 94278 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/state1.restart 94278 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/state2.restart 123416 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/temp.dat 123375 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/vdw_E.dat 123377 01-16-2023 14:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter5/vol.dat 0 01-17-2023 21:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/ 18 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/AA_g_cnt.dat 0 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/CG_Q.dat 18 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/CG_g_cnt.dat 42 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/Q.dat 48929 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/angle_E.dat 48929 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/bond_E.dat 2672 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/cgDOX.lmp 598 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/config.ini 48929 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/coul_E.dat 33331 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/data.cgDOX 123408 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/enthalpy.dat 18 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/g_cnt.dat 378752 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/iter6.o40778818 123391 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/kinetic_E.dat 67787 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/lammps_nb_DOXDOX.table 405 01-16-2023 15:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/log.cite 379943 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/log.lammps 158 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/log.txt 123353 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/potential_E.dat 123327 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/press.dat 553164 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/press_tens.dat 78 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/psi.dat 664 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/psub.sh 94278 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/state1.restart 94278 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/state2.restart 123407 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/temp.dat 123353 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/vdw_E.dat 123389 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/iter6/vol.dat 67787 01-15-2023 15:16 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/lammps_nb_DOXDOX.table 1086 01-15-2023 16:00 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/pgo.sh 663 01-15-2023 13:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/psub.sh 0 01-15-2023 15:54 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/rerun/ 7324 01-15-2023 14:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/rerun/DOXrerun360.o40760697 481 01-15-2023 13:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/360/pressure_matching/rerun/cg_DOX.top 2251 01-15-2023 13:54 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/MAPANDMATCH/forcematchresults/L.Pair_Interaction.total.DOXDOX.dat 1508 01-14-2023 13:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/MAPANDMATCH/forcematchresults/L_coeff.Pair_Interaction.total.DOXDOX.dat 14819 01-14-2023 13:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/MAPANDMATCH/forcematchresults/b_forces.Pair_Interaction.total.DOXDOX.dat 1508 01-14-2023 13:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/MAPANDMATCH/forcematchresults/b_forces_coeff.Pair_Interaction.total.DOXDOX.dat 14819 01-14-2023 13:15 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/MAPANDMATCH/forcematchresults/b_struct.Pair_Interaction.total.DOXDOX.dat 1508 01-14-2023 13:15 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===================================================== Content of ZIP archive dioxane-data-101.zip ===================================================== Archive: dioxane-data-101.zip Length Date Time Name --------- ---------- ----- ---- 4919998560 12-23-2022 10:37 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/part3/traj.part0003.trr 0 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/ 0 01-18-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/ 83069 01-18-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/380_fixed_vol.xvg 86819 01-18-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/380_fixed_vol.xvg_forces 0 09-04-2023 12:17 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter0/CG0distro.xvg 1412 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter0/PVcurve.bw.0.1.dat 0 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter1/ 399 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter1/CG1distro.xvg 1139 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter1/PVcurve.bw.0.1.dat 0 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter2/ 399 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter2/CG2distro.xvg 1056 01-16-2023 20:43 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter5/ 399 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter5/CG5distro.xvg 1094 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter5/PVcurve.bw.0.1.dat 0 08-18-2023 09:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter6/ 399 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter6/CG6distro.xvg 1072 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/Analysis/iter6/PVcurve.bw.0.1.dat 774950 01-15-2023 16:03 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/aa_pressures.xvg 750839 01-15-2023 16:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/aa_volumes.xvg 2660 01-15-2023 15:06 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/cgDOX.lmp 591 01-15-2023 13:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/config.ini 581 01-15-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/config.ini0 33329 01-15-2023 14:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/data.cgDOX 0 08-24-2023 11:03 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/ 18 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/AA_g_cnt.dat 0 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/CG_Q.dat 18 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/CG_g_cnt.dat 42 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/Q.dat 48929 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/angle_E.dat 48929 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/bond_E.dat 2672 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/cgDOX.lmp 623 08-15-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/config.ini 48929 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/coul_E.dat 33329 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/data.cgDOX 123368 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/enthalpy.dat 18 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/g_cnt.dat 378752 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/iter6.o40778833 123365 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/kinetic_E.dat 67789 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/lammps_nb_DOXDOX.table 405 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/log.cite 379943 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/log.lammps 158 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/log.txt 123412 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/potential_E.dat 123397 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/press.dat 553249 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/press_tens.dat 78 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/psi.dat 664 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/psub.sh 94278 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/state1.restart 94278 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/state2.restart 123395 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/temp.dat 123412 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/vdw_E.dat 123379 08-15-2023 10:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/experiment_w_tabulated_correction/vol.dat 540 01-15-2023 13:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/gocheck.sh 0 01-15-2023 22:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/ 50 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/Q.dat 774950 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/aa_pressures.xvg 382077 01-15-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/aa_time.xvg 750839 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/aa_volumes.xvg 48929 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/angle_E.dat 48929 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/bond_E.dat 2673 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/cgDOX.lmp 782090 01-15-2023 16:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/cg_pressures.xvg 382065 01-15-2023 16:03 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/cg_time.xvg 750859 01-15-2023 16:01 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/cg_volumes.xvg 599 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/config.ini 581 01-15-2023 16:02 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/config.ini0 48929 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/coul_E.dat 33329 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/data.cgDOX 123411 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/enthalpy.dat 18 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/g_cnt.dat 378751 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/iter0.o40761201 123365 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/kinetic_E.dat 67789 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/lammps_nb_DOXDOX.table 405 01-15-2023 16:08 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/log.cite 379943 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/log.lammps 79 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/log.txt 123334 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/potential_E.dat 123345 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/press.dat 553370 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/press_tens.dat 77 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/psi.dat 664 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/psub.sh 94278 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/state1.restart 94278 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/state2.restart 123413 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/temp.dat 123334 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/vdw_E.dat 123342 01-15-2023 17:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter0/vol.dat 0 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/ 18 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/AA_g_cnt.dat 0 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/CG_Q.dat 18 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/CG_g_cnt.dat 42 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/Q.dat 48929 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/angle_E.dat 48929 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/bond_E.dat 2672 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/cgDOX.lmp 598 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/config.ini 48929 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/coul_E.dat 33329 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/data.cgDOX 123378 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/enthalpy.dat 18 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/g_cnt.dat 378754 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/iter1.o40763915 123356 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/kinetic_E.dat 67789 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/lammps_nb_DOXDOX.table 405 01-15-2023 22:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/log.cite 379945 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/log.lammps 158 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/log.txt 123411 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/potential_E.dat 123367 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/press.dat 553307 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/press_tens.dat 78 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/psi.dat 664 01-15-2023 22:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/psub.sh 94278 01-15-2023 23:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/state1.restart 94278 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/state2.restart 123396 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/temp.dat 123411 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/vdw_E.dat 123380 01-15-2023 23:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter1/vol.dat 0 01-16-2023 20:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/ 18 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/AA_g_cnt.dat 0 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/CG_Q.dat 18 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/CG_g_cnt.dat 42 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/Q.dat 48929 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/angle_E.dat 48929 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/bond_E.dat 2672 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/cgDOX.lmp 598 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/config.ini 48929 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/coul_E.dat 33329 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/data.cgDOX 123417 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/enthalpy.dat 18 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/g_cnt.dat 378751 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/iter2.o40772443 123370 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/kinetic_E.dat 67789 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/lammps_nb_DOXDOX.table 405 01-16-2023 09:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/log.cite 379942 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/log.lammps 158 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/log.txt 123360 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/potential_E.dat 123362 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/press.dat 553347 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/press_tens.dat 78 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/psi.dat 664 01-16-2023 09:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/psub.sh 94278 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/state1.restart 94278 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/state2.restart 123378 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/temp.dat 123360 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/vdw_E.dat 123365 01-16-2023 10:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter2/vol.dat 0 01-16-2023 20:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/ 18 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/AA_g_cnt.dat 0 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/CG_Q.dat 18 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/CG_g_cnt.dat 42 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/Q.dat 48929 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/angle_E.dat 48929 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/bond_E.dat 2672 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/cgDOX.lmp 598 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/config.ini 48929 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/coul_E.dat 33329 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/data.cgDOX 123378 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/enthalpy.dat 18 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/g_cnt.dat 378754 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/iter3.o40775003 123362 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/kinetic_E.dat 67789 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/lammps_nb_DOXDOX.table 405 01-16-2023 11:23 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/log.cite 379945 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/log.lammps 158 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/log.txt 123365 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/potential_E.dat 123381 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/press.dat 553430 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/press_tens.dat 78 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/psi.dat 664 01-16-2023 11:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/psub.sh 94278 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/state1.restart 94278 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/state2.restart 123383 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/temp.dat 123365 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/vdw_E.dat 123370 01-16-2023 12:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter3/vol.dat 0 01-16-2023 20:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/ 18 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/AA_g_cnt.dat 0 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/CG_Q.dat 18 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/CG_g_cnt.dat 42 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/Q.dat 48929 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/angle_E.dat 48929 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/bond_E.dat 2670 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/cgDOX.lmp 598 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/config.ini 48929 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/coul_E.dat 33329 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/data.cgDOX 123386 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/enthalpy.dat 18 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/g_cnt.dat 378752 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/iter4.o40775376 123399 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/kinetic_E.dat 67789 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/lammps_nb_DOXDOX.table 405 01-16-2023 12:32 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/log.cite 379941 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/log.lammps 158 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/log.txt 123410 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/potential_E.dat 123415 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/press.dat 553200 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/press_tens.dat 78 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/psi.dat 664 01-16-2023 12:31 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/psub.sh 94278 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/state1.restart 94278 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/state2.restart 123381 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/temp.dat 123410 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/vdw_E.dat 123390 01-16-2023 13:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter4/vol.dat 0 08-15-2023 10:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/ 18 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/AA_g_cnt.dat 0 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/CG_Q.dat 18 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/CG_g_cnt.dat 42 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/Q.dat 48929 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/angle_E.dat 48929 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/bond_E.dat 2672 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/cgDOX.lmp 598 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/config.ini 48929 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/coul_E.dat 33329 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/data.cgDOX 123397 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/enthalpy.dat 18 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/g_cnt.dat 378755 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/iter5.o40775929 123383 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/kinetic_E.dat 67789 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/lammps_nb_DOXDOX.table 405 01-16-2023 13:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/log.cite 379946 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/log.lammps 158 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/log.txt 123383 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/potential_E.dat 123404 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/press.dat 553392 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/press_tens.dat 78 01-16-2023 20:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/psi.dat 664 01-16-2023 13:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/psub.sh 94278 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/state1.restart 94278 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/state2.restart 449739 08-15-2023 10:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/tabulated_out 468698 08-15-2023 10:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/tabulated_out_forces 123407 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/temp.dat 123383 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/vdw_E.dat 123391 01-16-2023 14:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter5/vol.dat 0 09-13-2023 00:13 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/ 18 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/AA_g_cnt.dat 0 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/CG_Q.dat 18 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/CG_g_cnt.dat 619 09-12-2023 09:04 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/PVcurve.bw.0.25.dat 42 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/Q.dat 48929 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/angle_E.dat 48929 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/bond_E.dat 2672 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/cgDOX.lmp 598 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/config.ini 48929 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/coul_E.dat 33329 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/data.cgDOX 123368 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/enthalpy.dat 18 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/g_cnt.dat 378752 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/iter6.o40778833 123365 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/kinetic_E.dat 67789 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/lammps_nb_DOXDOX.table 405 01-16-2023 15:40 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/log.cite 379943 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/log.lammps 158 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/log.txt 123412 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/potential_E.dat 123397 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/press.dat 553249 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/press_tens.dat 78 01-16-2023 20:50 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/psi.dat 664 01-16-2023 15:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/psub.sh 94278 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/state1.restart 94278 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/state2.restart 123395 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/temp.dat 123412 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/vdw_E.dat 123379 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/iter6/vol.dat 67789 01-15-2023 15:17 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/lammps_nb_DOXDOX.table 1086 01-15-2023 16:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/pgo.sh 663 01-15-2023 13:35 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/96/380/pressure_matching/psub.sh 0 12-12-2023 14:40 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/forcematchresults/save.g_cnt.dat 1584 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/forcematchresults/save.rescale.dat 2001 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/forcematchresults/summarize_input.txt 72 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/inp.txt 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/log.txt 694 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/map.DOX.top 1484569484 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/mappedaa.trr 911 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/out.total.txt 527 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/par.txt --------- ------- 1484941128 40 files ===================================================== Content of ZIP archive dioxane-data-107.zip ===================================================== Archive: dioxane-data-107.zip Length Date Time Name --------- ---------- ----- ---- 10361145360 01-26-2024 19:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/prod_traj_no_pbc.trr --------- ------- 10361145360 1 file ===================================================== Content of ZIP archive dioxane-data-108.zip ===================================================== Archive: dioxane-data-108.zip Length Date Time Name --------- ---------- ----- ---- 1731 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/progress.txt 0 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/ 599 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/cg.btp 14819 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/f_forces.Pair_Interaction.total.DOXDOX.dat 1508 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/f_forces_coeff.Pair_Interaction.total.DOXDOX.dat 14819 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/f_struct.Pair_Interaction.total.DOXDOX.dat 1508 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/f_struct_coeff.Pair_Interaction.total.DOXDOX.dat 4399 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/fm_98 919 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/forcematch.sh 72 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/inp.txt 7908 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/log.txt 694 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/map.DOX.top 911 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/out.total.txt 527 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/par.txt --------- ------- 50414 14 files ===================================================== Content of ZIP archive dioxane-data-109.zip ===================================================== Archive: dioxane-data-109.zip Length Date Time Name --------- ---------- ----- ---- 10361145360 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/mapandmatch/v4attempt/v4attempt/prod_traj_no_pbc.trr --------- ------- 10361145360 1 file ===================================================== Content of ZIP archive dioxane-data-110.zip ===================================================== Archive: dioxane-data-110.zip Length Date Time Name --------- ---------- ----- ---- 0 01-26-2024 19:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/ 0 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/Analysis/ 0 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/Analysis/aa/ 1786 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/Analysis/aa/PVcurve.bw.0.1.dat 785 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/Analysis/aa/PVcurve.bw.0.25.dat 404 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/Analysis/aa/aavoldis.xvg 762488 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/Analysis/aa/press.dat 24852 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/Analysis/aa/prod_rdf.xvg 750025 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/Analysis/aa/vol.dat 763266 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/aa_pressures.xvg 750811 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/aa_volumes.xvg 2662 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/cgDOX.lmp 591 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/config.ini 580 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/config.ini0 33330 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/data.cgDOX 99 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/delensemble.txt 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/ 52 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/bond_E.dat 2670 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/cgDOX.lmp 780827 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/cg_pressures.xvg 750819 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/cg_volumes.xvg 599 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/config.ini 580 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/config.ini0 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/coul_E.dat 33330 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/data.cgDOX 123371 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/g_cnt.dat 378033 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/iter0 123329 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/kinetic_E.dat 67787 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/log.cite 379941 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/log.lammps 79 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/log.txt 123397 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/potential_E.dat 123362 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/press.dat 553164 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/press_tens.dat 75 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/state2.restart 123291 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/temp.dat 123397 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/vdw_E.dat 123385 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter0/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/bond_E.dat 2671 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/coul_E.dat 33330 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/data.cgDOX 123359 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/g_cnt.dat 378032 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/iter1 123395 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/kinetic_E.dat 67787 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/log.cite 379941 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/log.txt 123378 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/potential_E.dat 123426 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/press.dat 553409 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/press_tens.dat 76 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/state2.restart 123394 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/temp.dat 123378 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/vdw_E.dat 123399 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter1/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/bond_E.dat 2671 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/coul_E.dat 33330 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/data.cgDOX 123387 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/g_cnt.dat 378034 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/iter2 123354 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/kinetic_E.dat 67787 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/log.cite 379943 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/log.txt 123364 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/potential_E.dat 123398 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/press.dat 553326 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/press_tens.dat 76 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/state2.restart 123386 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/temp.dat 123364 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/vdw_E.dat 123387 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter2/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/bond_E.dat 2671 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/coul_E.dat 33330 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/data.cgDOX 123365 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/g_cnt.dat 378034 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/iter3 123381 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/kinetic_E.dat 67787 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/log.cite 379943 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/log.txt 123366 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/potential_E.dat 123426 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/press.dat 553446 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/press_tens.dat 76 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/state2.restart 123442 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/temp.dat 123366 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/vdw_E.dat 123381 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter3/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/bond_E.dat 2671 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/coul_E.dat 33330 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/data.cgDOX 123353 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/g_cnt.dat 378035 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/iter4 123377 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/kinetic_E.dat 67787 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/log.cite 379944 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/log.txt 123350 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/potential_E.dat 123412 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/press.dat 553432 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/press_tens.dat 76 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/state2.restart 123325 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/temp.dat 123350 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/vdw_E.dat 123389 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter4/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/bond_E.dat 2669 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/coul_E.dat 33330 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/data.cgDOX 123393 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/g_cnt.dat 378034 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/iter5 123350 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/kinetic_E.dat 67787 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/log.cite 379941 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/log.txt 123342 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/potential_E.dat 123369 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/press.dat 553089 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/press_tens.dat 76 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/state2.restart 123344 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/temp.dat 123342 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/vdw_E.dat 123337 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter5/vol.dat 0 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/bond_E.dat 2668 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/coul_E.dat 33330 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/data.cgDOX 123375 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/g_cnt.dat 378034 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/iter6 123361 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/kinetic_E.dat 67787 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/log.cite 379940 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/log.lammps 158 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/log.txt 17290932 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/outfile.xtc 123401 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/potential_E.dat 123370 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/press.dat 553360 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/press_tens.dat 76 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/psi.dat 542 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/psub.sh 94278 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/state1.restart 94278 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/state2.restart 123351 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/temp.dat 123401 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/vdw_E.dat 123377 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/iter6/vol.dat 67787 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/lammps_nb_DOXDOX.table 1088 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/pgo.sh 541 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/psub.sh 0 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/340/NPT/pressurematching/rerun/ 7875 01-26-2024 19:46 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738 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/Analysis/aa/PVcurve.bw.0.25.dat 402 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/Analysis/aa/aavoldis.xvg 763205 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/Analysis/aa/press.dat 750025 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/Analysis/aa/vol.dat 764012 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/aa_pressures.xvg 750819 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/aa_volumes.xvg 2656 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/cgDOX.lmp 591 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/config.ini 573 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/config.ini0 33347 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/data.cgDOX 100 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/delensemble.txt 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/CG_g_cnt.dat 42 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/g_cnt.dat 378032 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/iter6 123400 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/kinetic_E.dat 67788 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/log.cite 379932 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/log.txt 17292200 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/outfile.xtc 123378 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/potential_E.dat 123347 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/press.dat 553385 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/press_tens.dat 77 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/state2.restart 123359 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/temp.dat 123378 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/vdw_E.dat 123375 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/get_rdf/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/ 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/AA_g_cnt.dat 0 01-26-2024 19:43 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/cg_vols.xvg 599 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/config.ini 573 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/config.ini0 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/coul_E.dat 33347 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/data.cgDOX 123356 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/g_cnt.dat 378035 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/iter0 123366 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/kinetic_E.dat 67788 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/log.cite 379935 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/log.lammps 79 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/log.txt 123394 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/potential_E.dat 123367 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/press.dat 553270 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/press_tens.dat 76 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/state2.restart 123380 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/temp.dat 123394 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/vdw_E.dat 123404 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter0/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/bond_E.dat 2663 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/coul_E.dat 33347 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/data.cgDOX 123402 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/g_cnt.dat 378035 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/iter1 123339 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/kinetic_E.dat 67788 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/log.cite 379936 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/log.txt 123397 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/potential_E.dat 123393 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/press.dat 553227 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/press_tens.dat 77 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/state2.restart 123386 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/temp.dat 123397 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/vdw_E.dat 123415 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter1/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/bond_E.dat 2663 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/coul_E.dat 33347 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/data.cgDOX 123400 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/g_cnt.dat 378030 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/iter2 123375 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/kinetic_E.dat 67788 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/log.cite 379931 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/log.txt 123367 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/potential_E.dat 123350 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/press.dat 553267 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/press_tens.dat 77 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/state2.restart 123383 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/temp.dat 123367 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/vdw_E.dat 123369 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter2/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/bond_E.dat 2663 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/coul_E.dat 33347 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/data.cgDOX 123413 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/g_cnt.dat 378035 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/iter3 123375 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/kinetic_E.dat 67788 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/log.cite 379936 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/log.txt 123381 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/potential_E.dat 123369 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/press.dat 553374 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/press_tens.dat 77 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/state2.restart 123406 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/temp.dat 123381 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/vdw_E.dat 123340 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter3/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/bond_E.dat 2663 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/coul_E.dat 33347 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/data.cgDOX 123394 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/g_cnt.dat 378034 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/iter4 123387 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/kinetic_E.dat 67788 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/log.cite 379935 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/log.txt 123411 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/potential_E.dat 123384 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/press.dat 553237 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/press_tens.dat 77 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/state2.restart 123355 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/temp.dat 123411 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/vdw_E.dat 123402 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter4/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/bond_E.dat 2663 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/coul_E.dat 33347 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/data.cgDOX 123363 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/g_cnt.dat 378035 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/iter5 123361 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/kinetic_E.dat 67788 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/log.cite 379936 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/log.txt 123386 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/potential_E.dat 123423 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/press.dat 553280 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/press_tens.dat 77 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/state2.restart 123380 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/temp.dat 123386 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/vdw_E.dat 123320 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter5/vol.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/ 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/AA_g_cnt.dat 0 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/CG_Q.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/CG_g_cnt.dat 42 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/Q.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/angle_E.dat 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/bond_E.dat 2663 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/cgDOX.lmp 598 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/config.ini 48929 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/coul_E.dat 33347 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/data.cgDOX 123390 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/enthalpy.dat 18 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/g_cnt.dat 378032 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/iter6 123400 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/kinetic_E.dat 67788 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/log.cite 379933 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/log.lammps 158 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/log.txt 123378 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/potential_E.dat 123347 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/press.dat 553385 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/press_tens.dat 77 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/psi.dat 542 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/psub.sh 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/state1.restart 94278 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/state2.restart 123359 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/temp.dat 123378 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/vdw_E.dat 123375 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/iter6/vol.dat 67788 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/lammps_nb_DOXDOX.table 1088 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/pgo.sh 541 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/psub.sh 0 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/ 180366 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/#md.log.1# 8612867 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/#md.log.2# 228602 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/#md.log.3# 11042 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/#mdout.mdp.1# 98580 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/#rerun.edr.1# 161948 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/#rerun.edr.2# 23441880 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/#traj.trr.1# 743424780 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/#traj.trr.2# 17816820 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/#traj.trr.3# 8047 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/98_rerun 0 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/__pycache__/ 6973 01-26-2024 19:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/__pycache__/translate_top_fn.cpython-39.pyc 481 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/cg_DOX.top 2250 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/cg_DOX_NPT.mdp 10304 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/cg_index.ndx 33347 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/data.cgDOX 67788 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/lammps_nb_DOXDOX.table 47313 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/mappedaa.gro 1484569484 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/mappedaa.trr 12230964 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/md.log 12102 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/mdout.mdp 6721116 01-26-2024 19:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/360/pressurematching/rerun/rerun.edr 564 01-26-2024 19:43 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/again_w_many_body/forcematchresults/save.rescale.dat 2207 05-22-2023 13:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/again_w_many_body/forcematchresults/summarize_input.txt 8055 05-22-2023 14:05 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/again_w_many_body/forcematchresults/try_to_get_rdf_from_bocs.xvg 75 05-22-2023 13:16 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/again_w_many_body/inp.txt 7926 05-22-2023 13:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/again_w_many_body/log.txt 911 05-22-2023 13:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/again_w_many_body/out.total.txt 588 05-22-2023 13:19 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/again_w_many_body/par.txt 1148 05-22-2023 13:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/again_w_many_body/progress.txt 748 05-22-2023 13:21 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/again_w_many_body/qsub.sh 599 01-16-2023 15:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/cg.btp 14819 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/f_forces.Pair_Interaction.total.DOXDOX.dat 1508 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/f_forces_coeff.Pair_Interaction.total.DOXDOX.dat 14819 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/f_struct.Pair_Interaction.total.DOXDOX.dat 1508 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/f_struct_coeff.Pair_Interaction.total.DOXDOX.dat 982 01-16-2023 15:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematch.sh 0 12-11-2023 11:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/ 14819 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/L.Pair_Interaction.total.DOXDOX.dat 1508 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/L_coeff.Pair_Interaction.total.DOXDOX.dat 8266 05-24-2023 12:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/MB_from_YBGmath.xvg 82150 05-24-2023 11:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/YBG_Math.agr 14819 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/b_forces.Pair_Interaction.total.DOXDOX.dat 1508 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/b_forces_coeff.Pair_Interaction.total.DOXDOX.dat 8249 05-24-2023 11:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/b_over_gbar.xvg 14819 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/b_struct.Pair_Interaction.total.DOXDOX.dat 1508 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/b_struct_coeff.Pair_Interaction.total.DOXDOX.dat 14819 01-16-2023 15:53 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.G.dat 1425 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.L.dat 55250 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.M.dat 54150 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.M2.dat 7 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.Nf.dat 1453 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.b_forces.dat 1473 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.b_struct.dat 55674 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.d2M.dat 1621 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.d2b.dat 1467 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.g.dat 1585 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.g_cnt.dat 1585 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/save.rescale.dat 2058 01-16-2023 15:51 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/forcematchresults/summarize_input.txt 72 01-16-2023 15:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/inp.txt 7908 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/log.txt 47313 01-16-2023 15:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/mappedaa.gro 1484569484 01-16-2023 15:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/mappedaa.trr 911 01-16-2023 15:53 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/out.total.txt 531 01-16-2023 15:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/par.txt 1861 05-22-2023 13:22 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MAPANDMATCH/progress.txt 9831 05-21-2023 16:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/MB_via_force_gr.txt 9766 05-20-2023 20:18 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/Many_Body_Contribution_98.55263251414894_685.0.dat 5877 02-28-2023 19:30 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter0/press.dat 553425 01-16-2023 20:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter0/press_tens.dat 77 01-16-2023 19:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter0/psi.dat 664 01-16-2023 19:24 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter0/psub.sh 94278 01-16-2023 20:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter0/state1.restart 94278 01-16-2023 20:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter0/state2.restart 123387 01-16-2023 20:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter0/temp.dat 123352 01-16-2023 20:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter0/vdw_E.dat 123385 01-16-2023 20:25 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter0/vol.dat 0 01-17-2023 10:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/ 18 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/AA_g_cnt.dat 0 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/CG_Q.dat 18 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/CG_g_cnt.dat 42 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/Q.dat 48929 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/angle_E.dat 48929 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/bond_E.dat 2668 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/cgDOX.lmp 598 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/config.ini 48929 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/coul_E.dat 33342 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/data.cgDOX 123387 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/enthalpy.dat 18 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/g_cnt.dat 378750 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/iter1.o40780705 123395 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/kinetic_E.dat 67790 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/lammps_nb_DOXDOX.table 405 01-16-2023 20:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/log.cite 379937 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/log.lammps 158 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/log.txt 123372 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/potential_E.dat 123362 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/press.dat 553428 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/press_tens.dat 77 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/psi.dat 664 01-16-2023 20:33 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/psub.sh 94278 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/state1.restart 94278 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/state2.restart 123366 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/temp.dat 123372 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/vdw_E.dat 123375 01-16-2023 21:30 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter1/vol.dat 0 01-17-2023 10:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/ 18 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/AA_g_cnt.dat 0 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/CG_Q.dat 18 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/CG_g_cnt.dat 42 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/Q.dat 48929 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/angle_E.dat 48929 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/bond_E.dat 2668 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/cgDOX.lmp 598 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/config.ini 48929 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/coul_E.dat 33342 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/data.cgDOX 123390 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/enthalpy.dat 18 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/g_cnt.dat 378751 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/iter2.o40781090 123384 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/kinetic_E.dat 67790 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/lammps_nb_DOXDOX.table 405 01-16-2023 21:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/log.cite 379938 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/log.lammps 158 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/log.txt 123320 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/potential_E.dat 123417 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/press.dat 553291 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/press_tens.dat 77 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/psi.dat 664 01-16-2023 21:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/psub.sh 94278 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/state1.restart 94278 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/state2.restart 123358 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/temp.dat 123320 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/vdw_E.dat 123355 01-16-2023 22:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter2/vol.dat 0 01-17-2023 10:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/ 18 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/AA_g_cnt.dat 0 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/CG_Q.dat 18 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/CG_g_cnt.dat 42 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/Q.dat 48929 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/angle_E.dat 48929 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/bond_E.dat 2668 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/cgDOX.lmp 598 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/config.ini 48929 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/coul_E.dat 33342 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/data.cgDOX 123410 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/enthalpy.dat 18 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/g_cnt.dat 378750 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/iter3.o40781433 123363 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/kinetic_E.dat 67790 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/lammps_nb_DOXDOX.table 405 01-16-2023 22:49 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/log.cite 379937 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/log.lammps 158 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/log.txt 123361 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/potential_E.dat 123382 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/press.dat 553271 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/press_tens.dat 77 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/psi.dat 664 01-16-2023 22:45 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/psub.sh 94278 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/state1.restart 94278 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/state2.restart 123367 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/temp.dat 123361 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/vdw_E.dat 123360 01-16-2023 23:43 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter3/vol.dat 0 01-17-2023 10:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/ 18 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/AA_g_cnt.dat 0 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/CG_Q.dat 18 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/CG_g_cnt.dat 42 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/Q.dat 48929 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/angle_E.dat 48929 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/bond_E.dat 2668 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/cgDOX.lmp 598 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/config.ini 48929 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/coul_E.dat 33342 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/data.cgDOX 123321 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/enthalpy.dat 18 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/g_cnt.dat 378751 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/iter4.o40782031 123368 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/kinetic_E.dat 67790 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/lammps_nb_DOXDOX.table 405 01-17-2023 07:47 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/log.cite 379938 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/log.lammps 158 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/log.txt 123382 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/potential_E.dat 123378 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/press.dat 553317 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/press_tens.dat 77 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/psi.dat 664 01-17-2023 07:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/psub.sh 94278 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/state1.restart 94278 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/state2.restart 123394 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/temp.dat 123382 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/vdw_E.dat 123367 01-17-2023 08:41 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter4/vol.dat 0 01-17-2023 10:57 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/ 18 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/AA_g_cnt.dat 0 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/CG_Q.dat 18 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/CG_g_cnt.dat 42 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/Q.dat 48929 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/angle_E.dat 48929 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/bond_E.dat 2668 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/cgDOX.lmp 598 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/config.ini 48929 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/coul_E.dat 33342 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/data.cgDOX 123380 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/enthalpy.dat 18 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/g_cnt.dat 378747 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/iter5.o40782131 123429 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/kinetic_E.dat 67790 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/lammps_nb_DOXDOX.table 405 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/log.cite 379934 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/log.lammps 158 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/log.txt 123365 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/potential_E.dat 123364 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/press.dat 553308 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/press_tens.dat 77 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/psi.dat 664 01-17-2023 08:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/psub.sh 94278 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/state1.restart 94278 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/state2.restart 123359 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/temp.dat 123365 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/vdw_E.dat 123383 01-17-2023 09:46 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter5/vol.dat 0 01-17-2023 20:39 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/ 18 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/AA_g_cnt.dat 0 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/CG_Q.dat 18 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/CG_g_cnt.dat 42 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/Q.dat 48929 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/angle_E.dat 48929 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/bond_E.dat 2668 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/cgDOX.lmp 598 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/config.ini 48929 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/coul_E.dat 33342 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/data.cgDOX 123377 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/enthalpy.dat 18 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/g_cnt.dat 378749 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/iter6.o40782248 123352 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/kinetic_E.dat 67790 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/lammps_nb_DOXDOX.table 405 01-17-2023 09:56 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/log.cite 379936 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/log.lammps 158 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/log.txt 123398 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/potential_E.dat 123372 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/press.dat 553367 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/press_tens.dat 77 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/psi.dat 664 01-17-2023 09:55 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/psub.sh 94278 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/state1.restart 94278 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/state2.restart 123358 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/temp.dat 123398 01-17-2023 10:52 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/iter6/vdw_E.dat 123373 01-17-2023 10:52 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dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/rerun/#rerun.tpr.1# 1140897 08-08-2023 10:27 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/rerun/380_98_PVrerun.xvg 3733 01-16-2023 16:36 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/rerun/DOXrerun98.o40779052 7541 01-16-2023 16:48 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/rerun/DOXrerun98.o40779088 481 01-16-2023 16:28 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/rerun/cg_DOX.top 2250 01-16-2023 16:34 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/rerun/cg_DOX_NPT.mdp 780859 01-16-2023 19:20 dioxane-data/aa_sims_cg_opt/NPT_Simulations/off_diagnol_statepoints/98/380/pressure_matching/rerun/cg_pressures.xvg 750842 01-16-2023 19:20 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dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/#ener.edr.1# 50860 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/#ener.edr.2# 16636 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/#md.log.1# 58919 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/#md.log.2# 24780 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/#traj.trr.1# 2973600 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/#traj.trr.2# 18540 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/cg.tpr 1894 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/cg_DOX.mdp 481 01-26-2024 19:38 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dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/press.xvg 759 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/rdf.sh 18024 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/state.cpt 18024 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/state_prev.cpt 122364 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/table_340.xvg 122248 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/table_DOX_DOX.xvg 173484780 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/340/traj.trr 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/ 12678 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/#md.log.1# 18540 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/cg.tpr 1894 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/cg_DOX.mdp 481 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/cg_DOX.top 25292 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/cg_rdf.xvg 47313 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/cgstartingframe.gro 5403 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/clusterout.out 47310 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/confout.gro 2940880 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/ener.edr 664 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/gromacs.sh 2609038 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/md.log 10957 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/mdout.mdp 182798 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/press.xvg 82816560 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/prod_traj.trr 748 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/rdf.sh 18024 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/state.cpt 18024 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/state_prev.cpt 122438 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/table_360.xvg 122322 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/table_DOX_DOX.xvg 173484780 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/360/traj.trr 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/ 1300 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/#ener.edr.1# 16637 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/#md.log.1# 24780 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/#traj.trr.1# 1894 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/cg.mdp 18540 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/cg.tpr 481 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/cg_DOX.top 25451 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/cg_rdf.xvg 47313 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/cg_startingNVT.gro 5457 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/clusterout.out 47310 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/confout.gro 2940880 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/ener.edr 666 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/gromacs.sh 2608157 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/md.log 10952 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/mdout.mdp 182791 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/press.xvg --------- ------- 5421854427 165 files ===================================================== Content of ZIP archive dioxane-data-154.zip ===================================================== Archive: dioxane-data-154.zip Length Date Time Name --------- ---------- ----- ---- 82816560 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/prod_traj.trr 748 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/rdf.sh 18024 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/state.cpt 18024 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/state_prev.cpt 122569 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/table_380.xvg 122453 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/table_DOX_DOX.xvg 173484780 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/380/traj.trr 1894 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/cg_DOX.mdp 481 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/cg_DOX.top 47313 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/cg_starting.gro 10304 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/index.ndx 325 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/NVT_of_NPT_state_points_with_lin/noteaboutthisfolder 0 01-27-2024 14:36 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/300/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/300/aa/ 1790 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/300/aa/PVcurve.bw.0.1.dat 399 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/300/aa/vol_dis_NPT.xvg 24714 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/300/aa_rdf.xvg 24679 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/300/cg_rdf_pair_lin_300.xvg 24704 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/300/cg_rdf_pair_opt_300.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/300/iter6/ 399 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/300/iter6/CG6distro.xvg 1741 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/300/iter6/PVcurve.bw.0.1.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/aa/ 2053 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/aa/PVcurve.bw.0.1.dat 403 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/aa/aa_voldis.xvg 766054 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/aa/press.dat 750025 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/aa/vol.dat 24938 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/aa_rdf.xvg 24847 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/cg_rdf_lin_320.xvg 24863 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/cg_rdf_opt_320.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/iter6/ 403 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/iter6/CG6distro.xvg 1796 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/320/iter6/PVcurve.bw.0.1.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/aa/ 2220 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/aa/PVcurve.bw.0.1.dat 414 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/aa/aa_voldis.xvg 766228 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/aa/press.dat 750025 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/aa/vol.dat 25099 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/aa_rdf.xvg 25082 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/cg_rdf_lin_340.xvg 25092 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/cg_rdf_opt_340.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/iter6/ 413 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/iter6/CG6distro.xvg 2370 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/340/iter6/PVcurve.bw.0.1.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/aa/ 2413 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/aa/PVcurve.bw.0.1.dat 420 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/aa/aa_voldis.xvg 766247 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/aa/press.dat 750025 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/aa/vol.dat 25280 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/aa_rdf.xvg 25247 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/cg_rdf_lin_360.xvg 25267 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/cg_rdf_opt_360.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/iter6/ 420 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/iter6/CG6distro.xvg 2445 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/360/iter6/PVcurve.bw.0.1.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/aa/ 3125 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/aa/PVcurve.bw.0.1.dat 420 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/aa/aa_voldistro.xvg 766234 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/aa/press.dat 750025 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/aa/vol.dat 25501 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/aa_rdf.xvg 25465 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/cg_rdf_lin_380.xvg 25465 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/cg_rdf_opt_380.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/iter6/ 420 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/iter6/CG6distro.xvg 2186 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/380/iter6/PVcurve.bw.0.1.dat 18 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/pair_extrapolation_results/THIS_FOLDER_IS_FOR_1_BAR 0 01-27-2024 14:35 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/ 19153 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/300.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/Analysis/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/Analysis/iter6/ 399 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/Analysis/iter6/CG6distro.xvg 1682 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/Analysis/iter6/PVcurve.bw.0.1.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/Analysis/iterlinagain/ 399 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/Analysis/iterlinagain/CGlinagaindistro.xvg 1632 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/Analysis/iterlinagain/PVcurve.bw.0.1.dat 24667 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/Analysis/iterlinagain/cg_rdf_pair_lin.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/ 171444 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/PV_300_opt_again.xvg 1682 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/PVcurve.bw.0.1.dat 611 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/PVcurve.bw.0.25.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/bond_E.dat 2657 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/cgDOX.lmp 24679 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/cg_rdf_pair_lin.xvg 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/coul_E.dat 33358 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/data.cgDOX 123387 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/enthalpy.dat 378034 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/iter6 123374 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/kinetic_E.dat 116523 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/log.cite 379929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/log.lammps 17280152 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/outfile.xtc 123388 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/potential_E.dat 125885 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/press.dat 553391 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/press_tens.dat 77 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/state2.restart 123409 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/temp.dat 123388 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/vdw_E.dat 123410 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iter6/vol.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/ 171421 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/PV_300_lin.xvg 719 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/PVcurve.bw.0.25.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/bond_E.dat 2657 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/cgDOX.lmp 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/coul_E.dat 33358 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/data.cgDOX 123425 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/enthalpy.dat 378031 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/iter6 123382 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/kinetic_E.dat 68825 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/log.cite 379926 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/log.lammps 17286092 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/outfile.xtc 123334 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/potential_E.dat 125915 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/press.dat 553471 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/press_tens.dat 77 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/state2.restart 122160 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/table_300.xvg 123376 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/temp.dat 123334 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/vdw_E.dat 123368 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/iterlinagain/vol.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/ 24685 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/#cg_rdf_pair_opt.xvg.1# 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/bond_E.dat 2657 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/cgDOX.lmp 24669 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/cg_rdf_pair_ext.xvg 24704 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/cg_rdf_pair_opt.xvg 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/coul_E.dat 33358 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/data.cgDOX 123411 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/enthalpy.dat 378032 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/iter6 123375 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/kinetic_E.dat 67777 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/log.cite 379927 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/log.lammps 17286404 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/outfile.xtc 123368 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/potential_E.dat 125954 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/press.dat 553257 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/press_tens.dat 77 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/state2.restart 123385 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/temp.dat 123368 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/vdw_E.dat 123323 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/original_optimized_pair_rdf_calc/vol.dat 291682 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/300/table_300.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/ 19214 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/320.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/Analysis/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/Analysis/iterlin/ 400 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/Analysis/iterlin/CGlindistro.xvg 1829 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/Analysis/iterlin/PVcurve.bw.0.1.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/Analysis/iterlinagain/ 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/Analysis/iterlinagain/CGlinagaindistro.xvg 1730 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/Analysis/iterlinagain/PVcurve.bw.0.1.dat 24838 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/Analysis/iterlinagain/cg_rdf_pair_lin.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/ 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/bond_E.dat 2658 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/cgDOX.lmp 24847 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/cg_rdf_pair_lin.xvg 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/coul_E.dat 33325 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/data.cgDOX 123355 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/enthalpy.dat 378032 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/iter6 123361 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/kinetic_E.dat 116535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/log.cite 379928 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/log.lammps 17286908 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/outfile.xtc 123363 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/potential_E.dat 125969 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/press.dat 553411 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/press_tens.dat 77 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/state2.restart 123364 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/temp.dat 123363 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/vdw_E.dat 123334 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlin/vol.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/ 24847 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/#cg_rdf_pair_lin.xvg.1# 171409 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/PV_320_lin.xvg 760 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/PVcurve.bw.0.25.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/bond_E.dat 2658 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/cgDOX.lmp 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/coul_E.dat 33325 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/data.cgDOX 123363 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/enthalpy.dat 378036 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/iter6 123383 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/kinetic_E.dat 68832 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/log.cite 379932 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/log.lammps 17299416 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/outfile.xtc 123394 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/potential_E.dat 125925 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/press.dat 553260 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/press_tens.dat 77 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/state2.restart 122240 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/table_320.xvg 123365 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/temp.dat 123394 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/vdw_E.dat 123346 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iterlinagain/vol.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/ 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/bond_E.dat 2658 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/cgDOX.lmp 24863 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/cg_rdf_pair_opt.xvg 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/coul_E.dat 33325 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/data.cgDOX 123347 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/enthalpy.dat 378034 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/iter6 123398 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/kinetic_E.dat 67789 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/log.cite 379930 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/log.lammps 17294304 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/outfile.xtc 123336 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/potential_E.dat 125851 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/press.dat 553383 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/press_tens.dat 77 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/state2.restart 123348 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/temp.dat 123336 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/vdw_E.dat 123405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/iteropt/vol.dat 116535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/lammps_nb_DOXDOX.table 291695 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/320/table_320.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/ 19308 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/340.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/Analysis/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/Analysis/iterlin/ 411 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/Analysis/iterlin/CGlindistro.xvg 1828 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/Analysis/iterlin/PVcurve.bw.0.1.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/Analysis/iterlinagain/ 414 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/Analysis/iterlinagain/CGlinagaindistro.xvg 2356 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/Analysis/iterlinagain/PVcurve.bw.0.1.dat 25108 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/Analysis/iterlinagain/cg_rdf_pair_lin.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/ 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/bond_E.dat 2657 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/cgDOX.lmp 25082 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/cg_rdf_pair_lin.xvg 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/coul_E.dat 33341 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/data.cgDOX 123404 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/enthalpy.dat 378034 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/iter6 123360 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/kinetic_E.dat 116552 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/log.cite 379929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/log.lammps 17307280 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/outfile.xtc 123404 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/potential_E.dat 125932 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/press.dat 553472 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/press_tens.dat 78 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/state2.restart 123360 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/temp.dat 123404 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/vdw_E.dat 123354 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlin/vol.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/ 25082 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/#cg_rdf_pair_lin.xvg.1# 171522 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/PV_340_lin.xvg 861 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/PVcurve.bw.0.25.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/bond_E.dat 2657 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/cgDOX.lmp 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/coul_E.dat 33341 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/data.cgDOX 123336 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/enthalpy.dat 378037 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/iter6 123351 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/kinetic_E.dat 68850 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/log.cite 379932 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/log.lammps 17305784 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/outfile.xtc 123348 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/potential_E.dat 126033 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/press.dat 553208 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/press_tens.dat 78 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/state2.restart 122310 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/table_340.xvg 123357 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/temp.dat 123348 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/vdw_E.dat 123340 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iterlinagain/vol.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/ 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/bond_E.dat 2657 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/cgDOX.lmp 25092 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/cg_rdf_pair_opt.xvg 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/coul_E.dat 33341 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/data.cgDOX 123385 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/enthalpy.dat 378033 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/iter6 123410 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/kinetic_E.dat 67808 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/log.cite 379928 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/log.lammps 17308024 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/outfile.xtc 123371 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/potential_E.dat 125962 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/press.dat 553480 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/press_tens.dat 78 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/state2.restart 123375 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/temp.dat 123371 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/vdw_E.dat 123373 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/iteropt/vol.dat 116552 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/lammps_nb_DOXDOX.table 291713 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/340/table_340.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/ 19387 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/360.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/Analysis/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/Analysis/iterlin/ 420 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/Analysis/iterlin/CGlindistro.xvg 2500 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/Analysis/iterlin/PVcurve.bw.0.1.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/Analysis/iterlinagain/ 416 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/Analysis/iterlinagain/CGlinagaindistro.xvg 2252 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/Analysis/iterlinagain/PVcurve.bw.0.1.dat 25253 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/Analysis/iterlinagain/cg_rdf_pair_lin.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/ 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/bond_E.dat 2658 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/cgDOX.lmp 25247 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/cg_rdf_pair_lin.xvg 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/coul_E.dat 33349 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/data.cgDOX 123366 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/enthalpy.dat 378035 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/iter6 123405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/kinetic_E.dat 116593 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/log.cite 379931 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/log.lammps 17319764 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/outfile.xtc 123373 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/potential_E.dat 125937 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/press.dat 553364 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/press_tens.dat 78 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/state2.restart 123359 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/temp.dat 123373 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/vdw_E.dat 123337 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlin/vol.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/ 25247 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/#cg_rdf_pair_lin.xvg.1# 171489 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/PV_360_lin.xvg 860 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/PVcurve.bw.0.25.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/bond_E.dat 2658 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/cgDOX.lmp 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/coul_E.dat 33349 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/data.cgDOX 123402 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/enthalpy.dat 378035 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/iter6 123388 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/kinetic_E.dat 68898 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/log.cite 379931 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/log.lammps 17305924 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/outfile.xtc 123420 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/potential_E.dat 125999 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/press.dat 553251 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/press_tens.dat 78 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/state2.restart 122383 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/table_360.xvg 123423 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/temp.dat 123420 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/vdw_E.dat 123341 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iterlinagain/vol.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/ 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/bond_E.dat 2658 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/cgDOX.lmp 25267 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/cg_rdf_pair_opt.xvg 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/coul_E.dat 33349 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/data.cgDOX 123366 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/enthalpy.dat 378032 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/iter6 123376 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/kinetic_E.dat 67848 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/log.cite 379928 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/log.lammps 17326404 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/outfile.xtc 123367 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/potential_E.dat 125940 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/press.dat 553351 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/press_tens.dat 78 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/state2.restart 123404 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/temp.dat 123367 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/vdw_E.dat 123363 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/iteropt/vol.dat 116593 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/lammps_nb_DOXDOX.table 291754 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/360/table_360.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/ 19427 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/380.xvg 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/Analysis/ 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/Analysis/iterlin/ 420 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/Analysis/iterlin/CGlindistro.xvg 2815 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/Analysis/iterlin/PVcurve.bw.0.1.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/Analysis/iterlinagain/ 416 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/Analysis/iterlinagain/CGlinagaindistro.xvg 2111 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/Analysis/iterlinagain/PVcurve.bw.0.1.dat 25475 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/Analysis/iterlinagain/cg_rdf_pair_lin.xvg 520 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/gocheck.sh 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/ 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/bond_E.dat 2657 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/cgDOX.lmp 25465 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/cg_rdf_pair_lin.xvg 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/coul_E.dat 33337 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/data.cgDOX 123377 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/enthalpy.dat 378032 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/iter6 123364 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/kinetic_E.dat 116643 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/log.cite 379927 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/log.lammps 17346272 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/outfile.xtc 128397 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/potential_E.dat 125947 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/press.dat 553503 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/press_tens.dat 77 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/state2.restart 123412 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/temp.dat 128397 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/vdw_E.dat 123365 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlin/vol.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/ 25465 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/#cg_rdf_pair_lin.xvg.1# 171485 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/PV_380_lin.xvg 953 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/PVcurve.bw.0.25.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/bond_E.dat 2657 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/cgDOX.lmp 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/coul_E.dat 33337 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/data.cgDOX 124358 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/enthalpy.dat 378036 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/iter6 123378 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/kinetic_E.dat 68964 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/log.cite 379931 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/log.lammps 17314548 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/outfile.xtc 128400 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/potential_E.dat 125949 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/press.dat 553262 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/press_tens.dat 77 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/state2.restart 122515 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/table_380.xvg 123356 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/temp.dat 128400 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/vdw_E.dat 123387 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iterlinagain/vol.dat 0 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/ 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/angle_E.dat 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/bond_E.dat 2657 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/cgDOX.lmp 25465 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/cg_rdf_pair_opt.xvg 48929 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/coul_E.dat 33337 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/data.cgDOX 123368 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/enthalpy.dat 378036 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/iter6 123360 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/kinetic_E.dat 67898 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/lammps_nb_DOXDOX.table 405 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/log.cite 379931 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/log.lammps 17348904 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/outfile.xtc 128350 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/potential_E.dat 125885 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/press.dat 553423 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/press_tens.dat 77 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/psi.dat 535 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/psub.sh 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/state1.restart 94278 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/state2.restart 123354 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/temp.dat 128350 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/vdw_E.dat 123385 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/iteropt/vol.dat 116643 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/lammps_nb_DOXDOX.table 291805 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/380/table_380.xvg 510 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/gocheck.sh 403 01-26-2024 19:38 dioxane-data/linearly_extrapolated_pair_potentials/run_NPT_predicted_1_bar/noteaboutthisfolder.txt 0 01-31-2024 10:39 dioxane-data/pressure_correction_virial_tradeoff/ 1522 01-26-2024 19:38 dioxane-data/pressure_correction_virial_tradeoff/bin_these_differences_and_average.py 1485 01-26-2024 19:38 dioxane-data/pressure_correction_virial_tradeoff/linear_fit_w_error_printout.py 2152 01-28-2024 15:28 dioxane-data/pressure_correction_virial_tradeoff/match_pressure_differences_to_volume_potentials.py 272 01-28-2024 15:31 dioxane-data/pressure_correction_virial_tradeoff/noteaboutthisfolder.txt 0 01-26-2024 19:38 dioxane-data/pressure_correction_virial_tradeoff/optimal/ 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/ 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/ 99199 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/101_Extract_Fv.xy 94292 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/101_Extract_Uncorrected_Pressure.xy 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/bond_E.dat 2665 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/coul_E.dat 33348 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/data.cgDOX 123384 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/g_cnt.dat 378752 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/iter6.o40782255 123378 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/kinetic_E.dat 67798 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/log.cite 379936 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/log.txt 123352 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/potential_E.dat 123401 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/press.dat 553328 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/psi.dat 664 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/psub.sh 94278 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/state2.restart 123391 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/temp.dat 123352 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/vdw_E.dat 123365 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/iter6/vol.dat 541 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/101o/psub.sh 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/ 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/ 99484 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/103_Extract_Fv.xy 94509 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/103_Extract_Uncorrected_Pressure.xy 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/bond_E.dat 2666 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/coul_E.dat 33350 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/data.cgDOX 123364 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/g_cnt.dat 123381 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/kinetic_E.dat 67842 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/log.cite 379941 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/log.txt 123372 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/potential_E.dat 123430 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/press.dat 553365 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/press_tens.dat 78 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/psi.dat 666 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/psub.sh 94278 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/state2.restart 123366 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/temp.dat 123372 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/vdw_E.dat 123385 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/iter6/vol.dat 541 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/103o/psub.sh 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/ 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/ 99506 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/106_Extract_Fv.xy 94477 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/106_Extract_Uncorrected_Pressure.xy 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/bond_E.dat 2658 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/coul_E.dat 33337 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/data.cgDOX 123403 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/enthalpy.dat 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/g_cnt.dat 378755 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/iter6.o39758543 123390 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/kinetic_E.dat 67898 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/log.cite 379932 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/log.txt 128348 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/potential_E.dat 125911 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/press.dat 553613 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/press_tens.dat 77 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/psi.dat 664 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/psub.sh 94278 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/state2.restart 123353 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/temp.dat 128348 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/vdw_E.dat 123327 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/iter6/vol.dat 541 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/106o/psub.sh 0 01-26-2024 19:38 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/ 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/ 94507 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/98_extract_Fv.xy 89525 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/98_extract_Uncorrected_Pressure.xy 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/AA_g_cnt.dat 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/CG_Q.dat 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/CG_g_cnt.dat 42 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/Q.dat 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/angle_E.dat 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/bond_E.dat 3078 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/cgDOX.lmp 598 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/config.ini 48929 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/coul_E.dat 33342 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/data.cgDOX 123377 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/enthalpy.dat 2616 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/extract_pressures_without_correction.py 18 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/g_cnt.dat 378749 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/iter6.o40782248 123352 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/kinetic_E.dat 67790 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/lammps_nb_DOXDOX.table 405 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/log.cite 2162 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/log.lammps 158 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/log.txt 123398 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/potential_E.dat 123333 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/press.dat 553367 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/press_tens.dat 77 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/psi.dat 541 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/psub.sh 94278 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/state1.restart 94278 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/state2.restart 123358 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/temp.dat 123398 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/vdw_E.dat 123336 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/optimal/98o/iter6/vol.dat 2616 01-26-2024 19:38 dioxane-data/pressure_correction_virial_tradeoff/optimal/extract_pressures_without_correction.py 541 01-26-2024 19:38 dioxane-data/pressure_correction_virial_tradeoff/optimal/psub.sh 0 01-28-2024 15:29 dioxane-data/pressure_correction_virial_tradeoff/reference/ 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/101r/ 99278 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/101r/101_Extract_Fv.xy 94271 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/101r/101_Extract_Uncorrected_Pressure.xy 123364 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/101r/press.dat 79 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/101r/psi.dat 123353 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/101r/vol.dat 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/103r/ 99471 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/103r/103_Extract_Fv.xy 94502 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/103r/103_Extract_Uncorrected_Pressure.xy 123392 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/103r/press.dat 79 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/103r/psi.dat 123364 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/103r/vol.dat 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/106r/ 99500 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/106r/106_Extract_Fv.xy 94476 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/106r/106_Extract_Uncorrected_Pressure.xy 125947 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/106r/press.dat 79 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/106r/psi.dat 123371 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/106r/vol.dat 0 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/98r/ 94504 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/98r/98_extract_Fv.xy 89526 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/98r/98_extract_Uncorrected_Pressure.xy 123340 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/98r/press.dat 78 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/98r/psi.dat 123410 01-26-2024 19:41 dioxane-data/pressure_correction_virial_tradeoff/reference/98r/vol.dat 2616 01-26-2024 19:38 dioxane-data/pressure_correction_virial_tradeoff/reference/extract_pressures_without_correction.py --------- ------- 578753167 679 files