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methanol/CGFF/1-site/NPT/225K/save.b_struct.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NPT/225K/save.d2M.dat 1552 08-01-2018 11:00 methanol/CGFF/1-site/NPT/225K/save.d2b.dat 1427 08-01-2018 11:00 methanol/CGFF/1-site/NPT/225K/save.g.dat 1547 08-01-2018 11:00 methanol/CGFF/1-site/NPT/225K/save.g_cnt.dat 1547 08-01-2018 11:00 methanol/CGFF/1-site/NPT/225K/save.rescale.dat 2420 08-01-2018 11:00 methanol/CGFF/1-site/NPT/225K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/ 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/L.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/L_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/b_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/b_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/b_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/b_struct_coeff.Pair_Interaction.total.CACA.dat 61154 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/cgff_MOH_1.NPT.250.o3236854 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/f_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/f_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/f_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/f_struct_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/g.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/g_cnt.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/g_coeff.Pair_Interaction.total.CACA.dat 158 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/inp.txt 7772 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/log.txt 921 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/out.total.txt 667 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/par.txt 250 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/qsub.sh 23 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.FF.dat 1349 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.L.dat 49643 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.M.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.Nf.dat 1380 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.b_forces.dat 1402 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.b_struct.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.d2M.dat 1552 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.d2b.dat 1427 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.g.dat 1546 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.g_cnt.dat 1546 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/save.rescale.dat 2420 08-01-2018 11:00 methanol/CGFF/1-site/NPT/250K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/ 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/L.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/L_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/b_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/b_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/b_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/b_struct_coeff.Pair_Interaction.total.CACA.dat 61157 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/cgff_MOH_1.NPT.275.o3236855 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/f_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/f_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/f_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/f_struct_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/g.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/g_cnt.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/g_coeff.Pair_Interaction.total.CACA.dat 158 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/inp.txt 7772 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/log.txt 921 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/out.total.txt 667 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/par.txt 250 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/qsub.sh 23 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.FF.dat 1349 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.L.dat 49651 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.M.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.Nf.dat 1379 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.b_forces.dat 1402 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.b_struct.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.d2M.dat 1552 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.d2b.dat 1427 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.g.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.g_cnt.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/save.rescale.dat 2420 08-01-2018 11:00 methanol/CGFF/1-site/NPT/275K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/ 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/L.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/L_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/b_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/b_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/b_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/b_struct_coeff.Pair_Interaction.total.CACA.dat 1597711 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/cgff-MOH_1.290.o6149362 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/f_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/f_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/f_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/f_struct_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/g.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/g_cnt.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/g_coeff.Pair_Interaction.total.CACA.dat 111 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/inp.txt 7726 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/log.txt 921 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/out.total.txt 639 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/par.txt 300 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/qsub.sh 23 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.FF.dat 1349 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.L.dat 49652 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.M.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.Nf.dat 1380 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.b_forces.dat 1401 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.b_struct.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.d2M.dat 1552 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.d2b.dat 1427 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.g.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.g_cnt.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/save.rescale.dat 2329 08-01-2018 11:00 methanol/CGFF/1-site/NPT/290/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/ 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/L.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/L_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/b_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/b_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/b_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/b_struct_coeff.Pair_Interaction.total.CACA.dat 61157 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/cgff_MOH_1.NPT.300.o3236856 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/f_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/f_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/f_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/f_struct_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/g.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/g_cnt.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/g_coeff.Pair_Interaction.total.CACA.dat 158 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/inp.txt 7772 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/log.txt 921 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/out.total.txt 667 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/par.txt 250 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/qsub.sh 23 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.FF.dat 1349 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.L.dat 49660 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.M.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.Nf.dat 1380 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.b_forces.dat 1401 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.b_struct.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.d2M.dat 1552 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.d2b.dat 1426 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.g.dat 1544 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.g_cnt.dat 1544 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/save.rescale.dat 2420 08-01-2018 11:00 methanol/CGFF/1-site/NPT/300K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/1-site/NVT/ 0 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/ 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/L.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/L_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/b_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/b_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/b_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/b_struct_coeff.Pair_Interaction.total.CACA.dat 60486 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/cgff_MOH_1.NVT.200.o3238171 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/f_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/f_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/f_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/f_struct_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/g.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/g_cnt.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/g_coeff.Pair_Interaction.total.CACA.dat 158 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/inp.txt 7772 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/log.txt 921 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/out.total.txt 622 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/par.txt 250 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/qsub.sh 23 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.FF.dat 1349 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.L.dat 49573 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.M.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.Nf.dat 1379 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.b_forces.dat 1389 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.b_struct.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.d2M.dat 1548 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.d2b.dat 1426 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.g.dat 1544 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.g_cnt.dat 1544 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/save.rescale.dat 2264 08-01-2018 11:00 methanol/CGFF/1-site/NVT/200K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/ 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/L.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/L_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/b_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/b_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/b_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/b_struct_coeff.Pair_Interaction.total.CACA.dat 60486 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/cgff_MOH_1.NVT.225.o3238174 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/f_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/f_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/f_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/f_struct_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/g.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/g_cnt.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/g_coeff.Pair_Interaction.total.CACA.dat 158 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/inp.txt 7772 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/log.txt 921 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/out.total.txt 622 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/par.txt 250 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/qsub.sh 23 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.FF.dat 1349 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.L.dat 49661 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.M.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.Nf.dat 1377 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.b_forces.dat 1398 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.b_struct.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.d2M.dat 1550 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.d2b.dat 1426 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.g.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.g_cnt.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/save.rescale.dat 2264 08-01-2018 11:00 methanol/CGFF/1-site/NVT/225K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/ 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/L.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/L_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/b_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/b_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/b_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/b_struct_coeff.Pair_Interaction.total.CACA.dat 60486 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/cgff_MOH_1.NVT.250.o3238176 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/f_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/f_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/f_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/f_struct_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/g.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/g_cnt.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/g_coeff.Pair_Interaction.total.CACA.dat 158 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/inp.txt 7772 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/log.txt 921 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/out.total.txt 622 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/par.txt 250 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/qsub.sh 23 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.FF.dat 1349 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.L.dat 49659 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.M.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.Nf.dat 1378 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.b_forces.dat 1400 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.b_struct.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.d2M.dat 1551 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.d2b.dat 1426 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.g.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.g_cnt.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/save.rescale.dat 2264 08-01-2018 11:00 methanol/CGFF/1-site/NVT/250K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/ 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/L.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/L_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/b_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/b_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/b_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/b_struct_coeff.Pair_Interaction.total.CACA.dat 60486 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/cgff_MOH_1.NVT.275.o3238177 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/f_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/f_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/f_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/f_struct_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/g.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/g_cnt.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/g_coeff.Pair_Interaction.total.CACA.dat 158 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/inp.txt 7772 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/log.txt 921 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/out.total.txt 622 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/par.txt 250 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/qsub.sh 23 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.FF.dat 1349 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.L.dat 49656 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.M.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.Nf.dat 1379 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.b_forces.dat 1401 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.b_struct.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.d2M.dat 1552 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.d2b.dat 1427 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.g.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.g_cnt.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/save.rescale.dat 2264 08-01-2018 11:00 methanol/CGFF/1-site/NVT/275K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/ 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/L.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/L_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/b_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/b_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/b_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/b_struct_coeff.Pair_Interaction.total.CACA.dat 60154 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/cgff_MOH_1.NVT.300.o3238178 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/f_forces.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/f_forces_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/f_struct.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/f_struct_coeff.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/g.Pair_Interaction.total.CACA.dat 17391 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/g_cnt.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1767 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/g_coeff.Pair_Interaction.total.CACA.dat 158 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/inp.txt 7772 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/log.txt 921 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/out.total.txt 622 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/par.txt 250 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/qsub.sh 23 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.FF.dat 1349 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.L.dat 49653 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.M.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.Nf.dat 1379 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.b_forces.dat 1402 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.b_struct.dat 48564 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.d2M.dat 1552 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.d2b.dat 1427 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.g.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.g_cnt.dat 1545 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/save.rescale.dat 2264 08-01-2018 11:00 methanol/CGFF/1-site/NVT/300K/summarize_input.txt 128608 08-01-2018 11:00 methanol/CGFF/1-site/NVT/MeOH.1_fbg_comp.png 166329 08-01-2018 11:00 methanol/CGFF/1-site/NVT/MeOH.1_fbg_comp.xvg 158 08-01-2018 11:00 methanol/CGFF/1-site/inp.txt 667 08-01-2018 11:00 methanol/CGFF/1-site/par.txt 0 08-01-2018 11:00 methanol/CGFF/2-site/ 0 08-01-2018 11:00 methanol/CGFF/2-site/NPT/ 0 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/ 775 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/L.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/L.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/L.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/L.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/L_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/L_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/L_coeff.Pair_Interaction.total.CTCT.dat 775 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 775 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62980 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/cgff_MOH_2.NPT.200.o3240202 775 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 775 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 775 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g.Pair_Interaction.total.CTCT.dat 775 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g_cnt.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g_cnt.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g_cnt.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g_cnt.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g_cnt_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g_cnt_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/g_coeff.Pair_Interaction.total.CTCT.dat 158 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/inp.txt 55901 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/log.txt 2717 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/out.total.txt 1152 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/par.txt 250 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/qsub.sh 24 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.FF.dat 11666 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.L.dat 3596954 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.M.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.Nf.dat 11772 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.b_forces.dat 12172 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.b_struct.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.d2M.dat 12427 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.d2b.dat 11883 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.g.dat 12293 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.g_cnt.dat 12293 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/save.rescale.dat 3800 08-01-2018 11:00 methanol/CGFF/2-site/NPT/200K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/ 806 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/L.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/L.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/L.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/L.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/L_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/L_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/L_coeff.Pair_Interaction.total.CTCT.dat 806 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 806 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 56684 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/cgff_MOH_2.NPT.225.o3240203 62365 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/cgff_MOH_2.NPT.225.o3245550 806 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 806 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 806 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g.Pair_Interaction.total.CTCT.dat 806 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g_cnt.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g_cnt.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g_cnt.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g_cnt.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g_cnt_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g_cnt_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/g_coeff.Pair_Interaction.total.CTCT.dat 158 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/inp.txt 55923 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/log.txt 2717 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/out.total.txt 1152 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/par.txt 270 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/qsub.sh 24 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.FF.dat 11666 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.L.dat 3596924 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.M.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.Nf.dat 11773 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.b_forces.dat 12178 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.b_struct.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.d2M.dat 12441 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.d2b.dat 11881 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.g.dat 12293 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.g_cnt.dat 12293 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/save.rescale.dat 3800 08-01-2018 11:00 methanol/CGFF/2-site/NPT/225K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/ 837 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/L.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/L.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/L.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/L.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/L_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/L_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/L_coeff.Pair_Interaction.total.CTCT.dat 837 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 837 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62978 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/cgff_MOH_2.NPT.250.o3240204 837 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 837 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 837 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g.Pair_Interaction.total.CTCT.dat 837 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g_cnt.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g_cnt.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g_cnt.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g_cnt.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g_cnt_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g_cnt_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/g_coeff.Pair_Interaction.total.CTCT.dat 158 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/inp.txt 55945 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/log.txt 2718 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/out.total.txt 1152 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/par.txt 250 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/qsub.sh 24 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.FF.dat 11666 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.L.dat 3597140 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.M.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.Nf.dat 11770 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.b_forces.dat 12179 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.b_struct.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.d2M.dat 12455 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.d2b.dat 11878 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.g.dat 12294 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.g_cnt.dat 12294 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/save.rescale.dat 3800 08-01-2018 11:00 methanol/CGFF/2-site/NPT/250K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/ 899 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/L.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/L.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/L.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/L.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/L_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/L_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/L_coeff.Pair_Interaction.total.CTCT.dat 899 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 899 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62981 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/cgff_MOH_2.NPT.275.o3240205 899 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 899 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 899 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g.Pair_Interaction.total.CTCT.dat 899 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g_cnt.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g_cnt.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g_cnt.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g_cnt.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g_cnt_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g_cnt_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/g_coeff.Pair_Interaction.total.CTCT.dat 158 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/inp.txt 55989 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/log.txt 2717 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/out.total.txt 1152 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/par.txt 250 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/qsub.sh 24 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.FF.dat 11666 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.L.dat 3597150 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.M.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.Nf.dat 11774 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.b_forces.dat 12180 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.b_struct.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.d2M.dat 12462 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.d2b.dat 11876 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.g.dat 12291 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.g_cnt.dat 12291 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/save.rescale.dat 3800 08-01-2018 11:00 methanol/CGFF/2-site/NPT/275K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/ 930 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/L.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/L.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/L.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/L.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/L_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/L_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/L_coeff.Pair_Interaction.total.CTCT.dat 930 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 930 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62981 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/cgff_MOH_2.NPT.300.o3240206 930 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 930 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 930 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g.Pair_Interaction.total.CTCT.dat 930 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g_cnt.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g_cnt.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g_cnt.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g_cnt.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g_cnt_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g_cnt_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/g_coeff.Pair_Interaction.total.CTCT.dat 158 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/inp.txt 56011 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/log.txt 2715 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/out.total.txt 1152 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/par.txt 250 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/qsub.sh 24 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.FF.dat 11666 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.L.dat 3597558 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.M.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.Nf.dat 11778 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.b_forces.dat 12181 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.b_struct.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.d2M.dat 12471 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.d2b.dat 11877 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.g.dat 12291 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.g_cnt.dat 12291 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/save.rescale.dat 3800 08-01-2018 11:00 methanol/CGFF/2-site/NPT/300K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/2-site/NVT/ 0 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/ 775 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/L.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/L.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/L.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/L.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/L_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/L_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/L_coeff.Pair_Interaction.total.CTCT.dat 775 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 775 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62310 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/cgff_MOH_2.NVT.200.o3244567 775 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 775 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 775 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g.Pair_Interaction.total.CTCT.dat 775 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g_cnt.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g_cnt.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g_cnt.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g_cnt.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g_cnt_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g_cnt_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/g_coeff.Pair_Interaction.total.CTCT.dat 158 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/inp.txt 55901 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/log.txt 2715 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/out.total.txt 1107 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/par.txt 250 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/qsub.sh 24 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.FF.dat 11666 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.L.dat 3595456 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.M.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.Nf.dat 11770 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.b_forces.dat 12149 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.b_struct.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.d2M.dat 12416 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.d2b.dat 11876 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.g.dat 12288 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.g_cnt.dat 12288 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/save.rescale.dat 3644 08-01-2018 11:00 methanol/CGFF/2-site/NVT/200K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/ 806 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/L.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/L.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/L.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/L.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/L_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/L_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/L_coeff.Pair_Interaction.total.CTCT.dat 806 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 806 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62310 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/cgff_MOH_2.NVT.225.o3244568 806 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 806 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 806 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g.Pair_Interaction.total.CTCT.dat 806 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g_cnt.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g_cnt.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g_cnt.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g_cnt.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g_cnt_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g_cnt_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/g_coeff.Pair_Interaction.total.CTCT.dat 158 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/inp.txt 55923 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/log.txt 2715 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/out.total.txt 1107 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/par.txt 250 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/qsub.sh 24 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.FF.dat 11666 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.L.dat 3597086 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.M.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.Nf.dat 11772 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.b_forces.dat 12171 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.b_struct.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.d2M.dat 12433 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.d2b.dat 11877 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.g.dat 12288 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.g_cnt.dat 12288 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/save.rescale.dat 3644 08-01-2018 11:00 methanol/CGFF/2-site/NVT/225K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/ 837 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/L.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/L.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/L.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/L.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/L_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/L_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/L_coeff.Pair_Interaction.total.CTCT.dat 837 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 837 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62310 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/cgff_MOH_2.NVT.250.o3244569 837 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 837 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 837 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g.Pair_Interaction.total.CTCT.dat 837 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g_cnt.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g_cnt.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g_cnt.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g_cnt.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g_cnt_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g_cnt_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/g_coeff.Pair_Interaction.total.CTCT.dat 158 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/inp.txt 55945 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/log.txt 2715 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/out.total.txt 1107 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/par.txt 250 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/qsub.sh 24 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.FF.dat 11666 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.L.dat 3597202 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.M.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.Nf.dat 11773 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.b_forces.dat 12174 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.b_struct.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.d2M.dat 12451 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.d2b.dat 11876 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.g.dat 12291 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.g_cnt.dat 12291 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/save.rescale.dat 3644 08-01-2018 11:00 methanol/CGFF/2-site/NVT/250K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/ 899 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/L.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/L.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/L.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/L.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/L_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/L_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/L_coeff.Pair_Interaction.total.CTCT.dat 899 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 899 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62310 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/cgff_MOH_2.NVT.275.o3244570 899 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 899 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 899 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g.Pair_Interaction.total.CTCT.dat 899 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g_cnt.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g_cnt.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g_cnt.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g_cnt.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g_cnt_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g_cnt_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/g_coeff.Pair_Interaction.total.CTCT.dat 158 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/inp.txt 55989 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/log.txt 2715 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/out.total.txt 1107 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/par.txt 250 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/qsub.sh 24 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.FF.dat 11666 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.L.dat 3597237 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.M.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.Nf.dat 11774 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.b_forces.dat 12180 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.b_struct.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.d2M.dat 12460 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.d2b.dat 11875 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.g.dat 12291 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.g_cnt.dat 12291 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/save.rescale.dat 3644 08-01-2018 11:00 methanol/CGFF/2-site/NVT/275K/summarize_input.txt 0 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/ 930 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/L.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/L.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/L.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/L.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/L_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/L_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/L_coeff.Pair_Interaction.total.CTCT.dat 930 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 930 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 47753 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/cgff_MOH_2.NVT.300.o3244571 92474 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/cgff_MOH_2.NVT.300.o3247708 930 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_forces.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_forces.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_forces.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_forces.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_forces_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_forces_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 930 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_struct.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_struct.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_struct.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_struct.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_struct_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_struct_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 930 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g.Pair_Interaction.total.CTCT.dat 930 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g_cnt.BondStretch.total.Bond_CT-CH.dat 18011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g_cnt.Pair_Interaction.total.CHCH.dat 17391 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g_cnt.Pair_Interaction.total.CTCH.dat 16771 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g_cnt.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g_cnt_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g_cnt_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1829 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g_coeff.Pair_Interaction.total.CHCH.dat 1767 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g_coeff.Pair_Interaction.total.CTCH.dat 1705 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/g_coeff.Pair_Interaction.total.CTCT.dat 158 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/inp.txt 56011 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/log.txt 2718 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/out.total.txt 1107 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/par.txt 270 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/qsub.sh 24 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.FF.dat 11666 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.L.dat 3597414 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.M.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.M2.dat 7 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.Nf.dat 11777 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.b_forces.dat 12183 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.b_struct.dat 3587295 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.d2M.dat 12474 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.d2b.dat 11876 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.g.dat 12292 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.g_cnt.dat 12292 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/save.rescale.dat 3644 08-01-2018 11:00 methanol/CGFF/2-site/NVT/300K/summarize_input.txt 122858 08-01-2018 11:00 methanol/CGFF/2-site/NVT/MeOH.2_CHCH_fbg_comp.png 168123 08-01-2018 11:00 methanol/CGFF/2-site/NVT/MeOH.2_CHCH_fbg_comp.xvg 124717 08-01-2018 11:00 methanol/CGFF/2-site/NVT/MeOH.2_CTCH_fbg_comp.png 166299 08-01-2018 11:00 methanol/CGFF/2-site/NVT/MeOH.2_CTCH_fbg_comp.xvg 137190 08-01-2018 11:00 methanol/CGFF/2-site/NVT/MeOH.2_CTCT_fbg_comp.png 159896 08-01-2018 11:00 methanol/CGFF/2-site/NVT/MeOH.2_CTCT_fbg_comp.xvg 158 08-01-2018 11:00 methanol/CGFF/2-site/inp.txt 1152 08-01-2018 11:00 methanol/CGFF/2-site/par.txt 270 08-01-2018 11:00 methanol/CGFF/qsub.sh 0 08-01-2018 11:00 methanol/CG_rdfs/ 21466 08-01-2018 11:00 methanol/CG_rdfs/1.NPT.200.CA-CA.xvg 21473 08-01-2018 11:00 methanol/CG_rdfs/1.NPT.210.CA-CA.xvg 21634 08-01-2018 11:00 methanol/CG_rdfs/1.NPT.225.CA-CA.xvg 21899 08-01-2018 11:00 methanol/CG_rdfs/1.NPT.250.CA-CA.xvg 22098 08-01-2018 11:00 methanol/CG_rdfs/1.NPT.275.CA-CA.xvg 22218 08-01-2018 11:00 methanol/CG_rdfs/1.NPT.290.CA-CA.xvg 22393 08-01-2018 11:00 methanol/CG_rdfs/1.NPT.300.CA-CA.xvg 22207 08-01-2018 11:00 methanol/CG_rdfs/1.NVT.200.CA-CA.xvg 22193 08-01-2018 11:00 methanol/CG_rdfs/1.NVT.225.CA-CA.xvg 22180 08-01-2018 11:00 methanol/CG_rdfs/1.NVT.250.CA-CA.xvg 22151 08-01-2018 11:00 methanol/CG_rdfs/1.NVT.275.CA-CA.xvg 22208 08-01-2018 11:00 methanol/CG_rdfs/1.NVT.300.CA-CA.xvg 0 08-01-2018 10:58 methanol/CG_trajectories/ 0 08-01-2018 10:58 methanol/CG_trajectories/200K/ 8148 08-01-2018 10:58 methanol/CG_trajectories/200K/#mdrun-cg_methanol.log.1# 0 08-01-2018 10:58 methanol/CG_trajectories/200K/MOH_200.o6460744 65803 08-01-2018 10:58 methanol/CG_trajectories/200K/cg_methanol.confout.gro 8441072 08-01-2018 10:58 methanol/CG_trajectories/200K/cg_methanol.edr 65837 08-01-2018 10:58 methanol/CG_trajectories/200K/cg_methanol.gro 2172 08-01-2018 10:58 methanol/CG_trajectories/200K/cg_methanol.mdp 635 08-01-2018 10:58 methanol/CG_trajectories/200K/cg_methanol.top 47904 08-01-2018 10:58 methanol/CG_trajectories/200K/cg_methanol.tpr 687868780 08-01-2018 10:58 methanol/CG_trajectories/200K/cg_methanol.trr 3289 08-01-2018 10:58 methanol/CG_trajectories/200K/grompp-cg_methanol.log 17378 08-01-2018 10:58 methanol/CG_trajectories/200K/index.ndx 10321 08-01-2018 10:58 methanol/CG_trajectories/200K/mdout-cg_methanol.mdp 4313522 08-01-2018 10:58 methanol/CG_trajectories/200K/mdrun-cg_methanol.log 206 08-01-2018 10:58 methanol/CG_trajectories/200K/qsub.sh 22207 08-01-2018 10:58 methanol/CG_trajectories/200K/rdf_CA-CA.xvg 1271 08-01-2018 10:58 methanol/CG_trajectories/200K/run_gmx.sh 80596 08-01-2018 10:58 methanol/CG_trajectories/200K/state.cpt 80596 08-01-2018 10:58 methanol/CG_trajectories/200K/state_prev.cpt 292016 08-01-2018 10:58 methanol/CG_trajectories/200K/table_CA_CA.xvg 0 08-01-2018 10:58 methanol/CG_trajectories/225K/ 8174 08-01-2018 10:58 methanol/CG_trajectories/225K/#mdrun-cg_methanol.log.1# 0 08-01-2018 10:58 methanol/CG_trajectories/225K/MOH_225.o6460755 65803 08-01-2018 10:58 methanol/CG_trajectories/225K/cg_methanol.confout.gro 8441072 08-01-2018 10:58 methanol/CG_trajectories/225K/cg_methanol.edr 65837 08-01-2018 10:58 methanol/CG_trajectories/225K/cg_methanol.gro 2172 08-01-2018 10:58 methanol/CG_trajectories/225K/cg_methanol.mdp 635 08-01-2018 10:58 methanol/CG_trajectories/225K/cg_methanol.top 47904 08-01-2018 10:58 methanol/CG_trajectories/225K/cg_methanol.tpr --------- ------- 4956230665 1184 files ===================================================== Content of ZIP archive methanol-21.zip ===================================================== Archive: methanol-21.zip Length Date Time Name --------- ---------- ----- ---- 687868780 08-01-2018 10:58 methanol/CG_trajectories/225K/cg_methanol.trr 3325 08-01-2018 10:58 methanol/CG_trajectories/225K/grompp-cg_methanol.log 17378 08-01-2018 10:58 methanol/CG_trajectories/225K/index.ndx 10321 08-01-2018 10:58 methanol/CG_trajectories/225K/mdout-cg_methanol.mdp 4313582 08-01-2018 10:58 methanol/CG_trajectories/225K/mdrun-cg_methanol.log 206 08-01-2018 10:58 methanol/CG_trajectories/225K/qsub.sh 22193 08-01-2018 10:58 methanol/CG_trajectories/225K/rdf_CA-CA.xvg 1271 08-01-2018 10:58 methanol/CG_trajectories/225K/run_gmx.sh 80596 08-01-2018 10:58 methanol/CG_trajectories/225K/state.cpt 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methanol/CG_trajectories/300K/#mdrun-cg_methanol.log.1# 0 08-01-2018 10:58 methanol/CG_trajectories/300K/MOH_300.o6460762 65803 08-01-2018 10:58 methanol/CG_trajectories/300K/cg_methanol.confout.gro 8441072 08-01-2018 10:58 methanol/CG_trajectories/300K/cg_methanol.edr 65837 08-01-2018 10:58 methanol/CG_trajectories/300K/cg_methanol.gro 2172 08-01-2018 10:58 methanol/CG_trajectories/300K/cg_methanol.mdp 635 08-01-2018 10:58 methanol/CG_trajectories/300K/cg_methanol.top 47904 08-01-2018 10:58 methanol/CG_trajectories/300K/cg_methanol.tpr 687868780 08-01-2018 10:58 methanol/CG_trajectories/300K/cg_methanol.trr 3325 08-01-2018 10:58 methanol/CG_trajectories/300K/grompp-cg_methanol.log 17378 08-01-2018 10:58 methanol/CG_trajectories/300K/index.ndx 10321 08-01-2018 10:58 methanol/CG_trajectories/300K/mdout-cg_methanol.mdp 4313582 08-01-2018 10:58 methanol/CG_trajectories/300K/mdrun-cg_methanol.log 206 08-01-2018 10:58 methanol/CG_trajectories/300K/qsub.sh 22208 08-01-2018 10:58 methanol/CG_trajectories/300K/rdf_CA-CA.xvg 1271 08-01-2018 10:58 methanol/CG_trajectories/300K/run_gmx.sh 80596 08-01-2018 10:58 methanol/CG_trajectories/300K/state.cpt 80596 08-01-2018 10:58 methanol/CG_trajectories/300K/state_prev.cpt 291547 08-01-2018 10:58 methanol/CG_trajectories/300K/table_CA_CA.xvg 2172 08-01-2018 10:58 methanol/CG_trajectories/cg_methanol.mdp 17378 08-01-2018 10:58 methanol/CG_trajectories/index.ndx 9792 08-01-2018 10:58 methanol/CG_trajectories/make_ndx 929 08-01-2018 10:58 methanol/CG_trajectories/make_ndx.cpp 206 08-01-2018 10:58 methanol/CG_trajectories/qsub.sh 1271 08-01-2018 10:58 methanol/CG_trajectories/run_gmx.sh 0 08-01-2018 10:55 methanol/pmatch/ 232981 08-01-2018 10:55 methanol/pmatch/FV_3sds.dat 160037 08-01-2018 10:55 methanol/pmatch/FV_in_bar.xvg 7490 08-01-2018 10:54 methanol/pmatch/aa_pv_eos_200.dat 5947 08-01-2018 10:54 methanol/pmatch/aa_pv_eos_225.dat 4332 08-01-2018 10:55 methanol/pmatch/aa_pv_eos_250.dat 3915 08-01-2018 10:55 methanol/pmatch/aa_pv_eos_275.dat 4237 08-01-2018 10:54 methanol/pmatch/aa_pv_eos_300.dat 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/ 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/ 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/ 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/MOH_pmatch_210.o6227286 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/MOH_pmatch_210.o6246244 255995 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/aa_vol_dist.xvg 250768 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/angle_E.dat 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/bond_E.dat 399 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/cg_vol_dist.xvg 45214 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/cgmethanol.data 3021 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/cgmethanol.lmp 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/coul_E.dat 765604 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/enthalpy.dat 588 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/error_aa_vol_dist.xvg 588 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/error_cg_vol_dist.xvg 765707 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/kinetic_E.dat 116371 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/lammps_nb_CA-CA.table 2255184 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/log.lammps 2256128 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/out.dat 765588 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/potential_E.dat 780984 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/press.dat 3345010 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/press_tens.dat 361 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/qsub.sh 130719 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/state1.restart 130719 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/state2.restart 765613 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/temp.dat 2713462328 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/trajdump.txt 765588 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/vdw_E.dat 765539 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/vol.dat 76752 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/vol_dist_comp.png 10822 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter0/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/ 18 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/MOH_pmatch_210.o6292090 42 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/Q.dat 255995 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/aa_pressures.xvg 202709 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/aa_pv.dat 2775 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/aa_pv_curve.dat 399 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/aa_vol_dist.xvg 250768 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/angle_E.dat 4035 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/block_error_aa_pv_curve.dat 1629 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/block_error_cg_pv_curve.dat 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/bond_E.dat 780984 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/cg_pressures.dat 608538 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/cg_pv.dat 1143 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/cg_pv_curve.dat 399 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/cg_vol_dist.xvg 765539 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/cg_volumes.dat 45214 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/cgmethanol.data 3021 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/cgmethanol.lmp 91145 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/comp_pv_eos.png 12921 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/comp_pv_eos.xvg 639 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/config.ini 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/coul_E.dat 765498 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/enthalpy.dat 4090 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/error_aa_pv_curve.dat 1644 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/error_cg_pv_curve.dat 588 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/g_cnt.dat 765649 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/kinetic_E.dat 116371 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/lammps_nb_CA-CA.table 2255183 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/log.lammps 158 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/log.txt 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/out.dat 765568 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/potential_E.dat 780612 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/press.dat 3344967 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/press_tens.dat 75 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/psi.dat 361 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/qsub.sh 1739 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/sample_aa_pv_curve.dat 733 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/sample_cg_pv_curve.dat 130719 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/state1.restart 130719 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/state2.restart 765560 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/temp.dat 2714857204 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/trajdump.txt 765568 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/vdw_E.dat 765642 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/vol.dat 85286 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/vol_dist_comp.png 10848 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/iter1/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/ 255995 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/aa_pressures.xvg 250768 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/aa_volumes.xvg 65836 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/cg_methanol.gro 621 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/cg_methanol.top 45214 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/cgmethanol.data 3022 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/cgmethanol.lmp 20232 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/index.ndx 116371 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/lammps_nb_CA-CA.table 361 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/qsub.sh 291669 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/table_CA_CA.xvg 1345 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/translate_top_fn.py 8993 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_210/setup/translate_top_fn.pyc 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/ 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/ 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/MOH_pmatch_290.o6227287 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/MOH_pmatch_290.o6246246 256160 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/aa_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/additional_statepoints/methanol_290/iter0/aa_vol_dist.xvg 250773 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/angle_E.dat 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/bond_E.dat 399 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/cg_vol_dist.xvg 45252 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/cgmethanol.data 3021 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/cgmethanol.lmp 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/coul_E.dat 765515 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/enthalpy.dat 588 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/error_aa_vol_dist.xvg 588 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/error_cg_vol_dist.xvg 765538 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/kinetic_E.dat 116303 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/lammps_nb_CA-CA.table 2255184 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/log.lammps 2256128 08-01-2018 10:54 methanol/pmatch/additional_statepoints/methanol_290/iter0/out.dat 765592 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/potential_E.dat 780796 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/press.dat 3344938 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/press_tens.dat 361 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/qsub.sh 130719 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/state1.restart 130719 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/state2.restart 765673 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/temp.dat --------- ------- 8270748816 211 files ===================================================== Content of ZIP archive methanol-22.zip ===================================================== Archive: methanol-22.zip Length Date Time Name --------- ---------- ----- ---- 2713019684 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/trajdump.txt 765592 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/vdw_E.dat 765609 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/vol.dat 89274 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter0/vol_dist_comp.png 10903 08-01-2018 10:54 methanol/pmatch/additional_statepoints/methanol_290/iter0/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/ 18 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/MOH_pmatch_290.o6292115 42 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/Q.dat 256160 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/aa_pressures.xvg 202703 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/aa_pv.dat 1568 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/aa_pv_curve.dat 399 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/aa_vol_dist.xvg 250773 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/angle_E.dat 2243 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/block_error_aa_pv_curve.dat 2573 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/block_error_cg_pv_curve.dat 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/bond_E.dat 780796 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/cg_pressures.dat 608615 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/cg_pv.dat 1799 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/cg_pv_curve.dat 399 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/cg_vol_dist.xvg 765609 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/cg_volumes.dat 45252 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/cgmethanol.data 3020 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/cgmethanol.lmp 86698 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/comp_pv_eos.png 14528 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/comp_pv_eos.xvg 639 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/config.ini 318930 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/coul_E.dat 765637 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/enthalpy.dat 2332 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/error_aa_pv_curve.dat 2596 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/error_cg_pv_curve.dat 588 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/g_cnt.dat 765649 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/kinetic_E.dat 116303 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/lammps_nb_CA-CA.table 2255180 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/log.lammps 158 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/log.txt 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/out.dat 765584 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/potential_E.dat 780952 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/press.dat 3345069 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/press_tens.dat 73 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/psi.dat 361 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/qsub.sh 991 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/sample_aa_pv_curve.dat 1149 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/sample_cg_pv_curve.dat 130719 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/state1.restart 130719 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/state2.restart 765580 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/temp.dat 2712786737 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/trajdump.txt 765584 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/vdw_E.dat 765696 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/vol.dat 75495 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/vol_dist_comp.png 10917 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/iter1/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/ 256160 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/aa_pressures.xvg 250773 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/aa_volumes.xvg 65836 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/cg_methanol.gro 621 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/cg_methanol.top 45252 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/cgmethanol.data 3022 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/cgmethanol.lmp 20232 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/index.ndx 116303 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/lammps_nb_CA-CA.table 361 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/qsub.sh 291605 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/table_CA_CA.xvg 1345 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/translate_top_fn.py 8993 08-01-2018 10:55 methanol/pmatch/additional_statepoints/methanol_290/setup/translate_top_fn.pyc 10937 08-01-2018 10:54 methanol/pmatch/block_error_aa_pv_eos_200.dat 8647 08-01-2018 10:55 methanol/pmatch/block_error_aa_pv_eos_225.dat 6258 08-01-2018 10:54 methanol/pmatch/block_error_aa_pv_eos_250.dat 5616 08-01-2018 10:54 methanol/pmatch/block_error_aa_pv_eos_275.dat 6073 08-01-2018 10:55 methanol/pmatch/block_error_aa_pv_eos_300.dat 4095 08-01-2018 10:55 methanol/pmatch/block_error_cg_pv_eos_200.dat 4881 08-01-2018 10:54 methanol/pmatch/block_error_cg_pv_eos_225.dat 5378 08-01-2018 10:55 methanol/pmatch/block_error_cg_pv_eos_250.dat 5599 08-01-2018 10:54 methanol/pmatch/block_error_cg_pv_eos_275.dat 6519 08-01-2018 10:54 methanol/pmatch/block_error_cg_pv_eos_300.dat 2183 08-01-2018 10:55 methanol/pmatch/cg_methanol.mdp 47904 08-01-2018 10:54 methanol/pmatch/cg_methanol.tpr 2862 08-01-2018 10:55 methanol/pmatch/cg_pv_eos_200.dat 3405 08-01-2018 10:54 methanol/pmatch/cg_pv_eos_225.dat 3758 08-01-2018 10:54 methanol/pmatch/cg_pv_eos_250.dat 3916 08-01-2018 10:54 methanol/pmatch/cg_pv_eos_275.dat 4557 08-01-2018 10:54 methanol/pmatch/cg_pv_eos_300.dat 11062 08-01-2018 10:54 methanol/pmatch/error_aa_pv_eos_200.dat 8791 08-01-2018 10:55 methanol/pmatch/error_aa_pv_eos_225.dat 6437 08-01-2018 10:54 methanol/pmatch/error_aa_pv_eos_250.dat 5810 08-01-2018 10:54 methanol/pmatch/error_aa_pv_eos_275.dat 6308 08-01-2018 10:54 methanol/pmatch/error_aa_pv_eos_300.dat 4131 08-01-2018 10:55 methanol/pmatch/error_cg_pv_eos_200.dat 4930 08-01-2018 10:54 methanol/pmatch/error_cg_pv_eos_225.dat 5436 08-01-2018 10:54 methanol/pmatch/error_cg_pv_eos_250.dat 5667 08-01-2018 10:54 methanol/pmatch/error_cg_pv_eos_275.dat 6595 08-01-2018 10:55 methanol/pmatch/error_cg_pv_eos_300.dat 1775 08-01-2018 10:55 methanol/pmatch/gen_CG_RDFs.sh 0 08-01-2018 10:55 methanol/pmatch/gen_input/ 0 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/ 0 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/200K/ 45265 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/200K/cgmethanol.data 116277 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/200K/lammps_nb_CA-CA.table 291571 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/200K/table_CA_CA.xvg 1345 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/200K/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/200K/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/200K/translate_top_fn.py 9248 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/200K/translate_top_fn.pyc 0 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/225K/ 45295 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/225K/cgmethanol.data 116180 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/225K/lammps_nb_CA-CA.table 291488 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/225K/table_CA_CA.xvg 1345 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/225K/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/225K/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/225K/translate_top_fn.py 9248 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/225K/translate_top_fn.pyc 0 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/250K/ 45288 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/250K/cgmethanol.data 116267 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/250K/lammps_nb_CA-CA.table 291567 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/250K/table_CA_CA.xvg 1345 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/250K/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/250K/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/250K/translate_top_fn.py 9248 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/250K/translate_top_fn.pyc 0 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/275K/ 45314 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/275K/cgmethanol.data 116252 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/275K/lammps_nb_CA-CA.table 291556 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/275K/table_CA_CA.xvg 1345 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/275K/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/275K/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/275K/translate_top_fn.py 9248 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/275K/translate_top_fn.pyc 0 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/300K/ 45308 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/300K/cgmethanol.data 116332 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/300K/lammps_nb_CA-CA.table 291635 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/300K/table_CA_CA.xvg 1345 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/300K/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/300K/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/300K/translate_top_fn.py 9248 08-01-2018 10:55 methanol/pmatch/gen_input/1-site/300K/translate_top_fn.pyc 0 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/ 0 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/ 106221 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/cgmethanol.data 116734 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/lammps_nb_CH-CH.table 116705 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/lammps_nb_CT-CH.table 115864 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/lammps_nb_CT-CT.table 33834 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/lamms_bond_CT-CH.table 291990 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/table_CH_CH.xvg 292079 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/table_CT_CH.xvg 291200 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/table_CT_CT.xvg 33340 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/table_b0.xvg 1345 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/translate_top_fn.py 9248 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/200K/translate_top_fn.pyc 0 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/ 106270 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/cgmethanol.data 116169 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/lammps_nb_CH-CH.table 116770 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/lammps_nb_CT-CH.table 116092 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/lammps_nb_CT-CT.table 33821 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/lamms_bond_CT-CH.table 291421 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/table_CH_CH.xvg 292144 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/table_CT_CH.xvg 291427 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/table_CT_CT.xvg 33340 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/table_b0.xvg 1345 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/translate_top_fn.py 9248 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/225K/translate_top_fn.pyc 0 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/ 106251 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/cgmethanol.data 116272 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/lammps_nb_CH-CH.table 116772 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/lammps_nb_CT-CH.table 115904 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/lammps_nb_CT-CT.table 33878 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/lamms_bond_CT-CH.table 291525 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/table_CH_CH.xvg 292143 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/table_CT_CH.xvg 291236 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/table_CT_CT.xvg 33340 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/table_b0.xvg 1345 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/translate_top_fn.py 9248 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/250K/translate_top_fn.pyc 0 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/ 106300 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/cgmethanol.data 116168 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/lammps_nb_CH-CH.table 116769 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/lammps_nb_CT-CH.table 115857 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/lammps_nb_CT-CT.table 33945 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/lamms_bond_CT-CH.table 291424 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/table_CH_CH.xvg 292138 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/table_CT_CH.xvg 291187 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/table_CT_CT.xvg 33340 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/table_b0.xvg 1345 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/translate_top_fn.py 9248 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/275K/translate_top_fn.pyc 0 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/ 106294 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/cgmethanol.data 116007 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/lammps_nb_CH-CH.table 116775 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/lammps_nb_CT-CH.table 115890 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/lammps_nb_CT-CT.table 33897 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/lamms_bond_CT-CH.table 291263 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/table_CH_CH.xvg 292143 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/table_CT_CH.xvg 291218 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/table_CT_CT.xvg 33340 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/table_b0.xvg 1345 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/translate_top_fn.py 9248 08-01-2018 10:55 methanol/pmatch/gen_input/2-site/300K/translate_top_fn.pyc 272 08-01-2018 10:55 methanol/pmatch/gen_input/qsub.sh 1345 08-01-2018 10:55 methanol/pmatch/gen_input/translate_table.py 8255 08-01-2018 10:55 methanol/pmatch/gen_input/translate_top.py 7177 08-01-2018 10:55 methanol/pmatch/gen_input/translate_top_fn.py 9044 08-01-2018 10:55 methanol/pmatch/gen_input/translate_top_fn.pyc 9960 08-01-2018 10:54 methanol/pmatch/gen_vols 709 08-01-2018 10:54 methanol/pmatch/gen_vols.cpp 9960 08-01-2018 10:54 methanol/pmatch/gen_vols_3sds 709 08-01-2018 10:54 methanol/pmatch/gen_vols_3sds.cpp 0 08-01-2018 10:54 methanol/pmatch/iter0/ 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/ 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/ 138 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/MOHpmatch_1.200.o2297968 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/MOHpmatch_1.200.o2297970 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/MOHpmatch_1.200.o2299793 52 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/Q.dat 255506 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/aa_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/aa_vol_dist.xvg 250477 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/aa_volumes.xvg 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/angle_E.dat 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/bond_E.dat 260485 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/cg_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/cg_vol_dist.xvg 250467 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/cg_volumes.xvg 45228 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/cgmethanol.data 3299 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/cgmethanol.lmp 617 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/config.ini 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/coul_E.dat 915550 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/enthalpy.dat 588 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/error_aa_vol_dist.xvg 588 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/g_cnt.dat 915615 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/kinetic_E.dat 116277 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/lammps_nb_CA-CA.table 2254390 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/log.lammps 79 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/log.txt 2251652 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/out.dat 140694948 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/outfile.xtc 915668 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/potential_E.dat 930889 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/press.dat 4245031 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/press_tens.dat 76 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/psi.dat 273 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/qsub.sh 130430 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/state1.restart 130430 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/state2.restart 915634 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/temp.dat 915668 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/vdw_E.dat 915562 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/vol.dat 74909 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/vol_dist_comp.png 10849 08-01-2018 10:54 methanol/pmatch/iter0/1-site/200K/vol_dist_comp.xvg 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/ 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/MOHpmatch_1.225.o2300004 50 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/Q.dat 255699 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/aa_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/aa_vol_dist.xvg 250482 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/aa_volumes.xvg 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/angle_E.dat 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/bond_E.dat 260454 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/cg_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/cg_vol_dist.xvg 250449 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/cg_volumes.xvg 45258 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/cgmethanol.data 3297 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/cgmethanol.lmp 617 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/config.ini 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/coul_E.dat 915634 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/enthalpy.dat 588 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/error_aa_vol_dist.xvg 588 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/g_cnt.dat 915626 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/kinetic_E.dat 116180 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/lammps_nb_CA-CA.table 2254392 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/log.lammps 79 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/log.txt 2251656 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/out.dat 140881932 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/outfile.xtc 915512 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/potential_E.dat 930690 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/press.dat 4245010 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/press_tens.dat 74 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/psi.dat 273 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/qsub.sh 130430 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/state1.restart 130430 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/state2.restart 915583 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/temp.dat 915512 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/vdw_E.dat 915604 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/vol.dat 71306 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/vol_dist_comp.png 10834 08-01-2018 10:54 methanol/pmatch/iter0/1-site/225K/vol_dist_comp.xvg 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/ 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/MOHpmatch_1.250.o2300006 50 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/Q.dat 255978 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/aa_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/aa_vol_dist.xvg 250479 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/aa_volumes.xvg 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/angle_E.dat 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/bond_E.dat 260486 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/cg_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/cg_vol_dist.xvg 250475 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/cg_volumes.xvg 45251 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/cgmethanol.data 3299 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/cgmethanol.lmp 617 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/config.ini 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/coul_E.dat 915677 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/enthalpy.dat 588 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/error_aa_vol_dist.xvg 588 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/g_cnt.dat 915607 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/kinetic_E.dat 116267 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/lammps_nb_CA-CA.table 2254391 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/log.lammps 79 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/log.txt 2251653 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/out.dat 140995452 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/outfile.xtc 915533 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/potential_E.dat 930733 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/press.dat 4245244 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/press_tens.dat 76 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/psi.dat 273 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/qsub.sh 130430 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/state1.restart 130430 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/state2.restart 915629 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/temp.dat 915533 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/vdw_E.dat 915662 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/vol.dat 69853 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/vol_dist_comp.png 10859 08-01-2018 10:54 methanol/pmatch/iter0/1-site/250K/vol_dist_comp.xvg 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/ 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/MOHpmatch_1.275.o2300009 52 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/Q.dat 255829 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/aa_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/aa_vol_dist.xvg 250475 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/aa_volumes.xvg 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/angle_E.dat 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/bond_E.dat 260472 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/cg_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/cg_vol_dist.xvg 250467 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/cg_volumes.xvg 45277 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/cgmethanol.data 3299 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/cgmethanol.lmp 617 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/config.ini 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/coul_E.dat 915466 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/enthalpy.dat 588 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/error_aa_vol_dist.xvg 588 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/g_cnt.dat 915641 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/kinetic_E.dat 116252 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/lammps_nb_CA-CA.table 2254391 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/log.lammps 79 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/log.txt 2251653 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/out.dat 140982240 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/outfile.xtc 915510 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/potential_E.dat 930791 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/press.dat 4244427 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/press_tens.dat 76 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/psi.dat 273 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/qsub.sh 130430 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/state1.restart 130430 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/state2.restart 915670 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/temp.dat 915510 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/vdw_E.dat 915646 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/vol.dat 90780 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/vol_dist_comp.png 10928 08-01-2018 10:54 methanol/pmatch/iter0/1-site/275K/vol_dist_comp.xvg 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/ 0 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/MOHpmatch_1.300.o2300011 50 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/Q.dat 255870 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/aa_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/aa_vol_dist.xvg 250481 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/aa_volumes.xvg 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/angle_E.dat 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/bond_E.dat 260470 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/cg_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/cg_vol_dist.xvg 250468 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/cg_volumes.xvg 45271 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/cgmethanol.data 3298 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/cgmethanol.lmp 617 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/config.ini 318930 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/coul_E.dat 915568 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/enthalpy.dat 588 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/error_aa_vol_dist.xvg 588 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/g_cnt.dat 915677 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/kinetic_E.dat 116332 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/lammps_nb_CA-CA.table 2254390 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/log.lammps 79 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/log.txt 2251653 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/out.dat 141107396 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/outfile.xtc 915548 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/potential_E.dat 931097 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/press.dat 4245012 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/press_tens.dat 75 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/psi.dat 273 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/qsub.sh 130430 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/state1.restart 130430 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/state2.restart 915648 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/temp.dat 915548 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/vdw_E.dat 915615 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/vol.dat 91645 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/vol_dist_comp.png 10921 08-01-2018 10:54 methanol/pmatch/iter0/1-site/300K/vol_dist_comp.xvg 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/ 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/ 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/MOHpmatch_2.200.o2300014 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/MOHpmatch_2.200.o2312901 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/MOHpmatch_2.200.o2371398 54 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/Q.dat 255506 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/aa_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/aa_vol_dist.xvg 250477 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/aa_volumes.xvg 188514 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/angle_E.dat 130672 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/angle_E_restart.dat 549432 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/bond_E.dat 366863 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/bond_E_restart.dat 260355 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/cg_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/cg_vol_dist.xvg 250477 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/cg_volumes.xvg 106221 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/cgmethanol.data 3413 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/cgmethanol.lmp 618 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/config.ini 188514 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/coul_E.dat 130672 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/coul_E_restart.dat 567464 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/enthalpy.dat 378713 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/enthalpy_restart.dat 588 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/error_aa_vol_dist.xvg 588 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/g_cnt.dat 549433 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/kinetic_E.dat 366911 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/kinetic_E_restart.dat 33834 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/lammps_bond_CT-CH.table 116734 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/lammps_nb_CH-CH.table 116705 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/lammps_nb_CT-CH.table 115864 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/lammps_nb_CT-CT.table 895335 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/log.lammps 79 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/log.txt 1361826 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/out.dat 892385 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/out_restart.dat 92032972 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/outfile.xtc 567583 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/potential_E.dat 378760 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/potential_E_restart.dat 558465 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/press.dat 930496 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/press_cat.dat 372694 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/press_restart.dat 2562353 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/press_tens.dat 1684545 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/press_tens_restart.dat 76 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/psi.dat 278 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/qsub.sh 3491 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/restart.lmp 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/state1.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/state1_rs.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/state2.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/state2_rs.restart 549424 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/temp.dat 915657 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/temp_cat.dat 366889 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/temp_restart.dat 567533 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/vdw_E.dat 378728 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/vdw_E_restart.dat 549244 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/vol.dat 915497 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/vol_cat.dat 86185 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/vol_dist_comp.png 10851 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/vol_dist_comp.xvg 366909 08-01-2018 10:54 methanol/pmatch/iter0/2-site/200K/vol_restart.dat 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/ 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/MOHpmatch_2.225.o2300019 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/MOHpmatch_2.225.o2312903 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/MOHpmatch_2.225.o2371399 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/MOHpmatch_2.225.o2371403 52 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/Q.dat 255699 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/aa_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/aa_vol_dist.xvg 250482 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/aa_volumes.xvg 194949 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/angle_E.dat 124237 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/angle_E_restart.dat 567370 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/bond_E.dat 348812 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/bond_E_restart.dat 254074 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/cg_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/cg_vol_dist.xvg 250480 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/cg_volumes.xvg 106270 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/cgmethanol.data 3413 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/cgmethanol.lmp 618 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/config.ini 194949 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/coul_E.dat 124237 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/coul_E_restart.dat 586159 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/enthalpy.dat 360088 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/enthalpy_restart.dat 588 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/error_aa_vol_dist.xvg 588 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/g_cnt.dat 567469 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/kinetic_E.dat 348764 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/kinetic_E_restart.dat 33821 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/lammps_bond_CT-CH.table 116169 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/lammps_nb_CH-CH.table 116770 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/lammps_nb_CT-CH.table 116092 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/lammps_nb_CT-CT.table 851461 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/log.lammps 79 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/log.txt 1405700 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/out.dat 848511 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/out_restart.dat 87541192 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/outfile.xtc 586182 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/potential_E.dat 360113 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/potential_E_restart.dat 576961 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/press.dat 930704 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/press_cat.dat 354406 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/press_restart.dat 2647799 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/press_tens.dat 1602543 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/press_tens_restart.dat 76 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/psi.dat 278 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/qsub.sh 3491 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/restart.lmp 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/state1.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/state1_rs.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/state2.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/state2_rs.restart 567452 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/temp.dat 915637 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/temp_cat.dat 348842 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/temp_restart.dat 586168 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/vdw_E.dat 360059 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/vdw_E_restart.dat 567486 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/vol.dat 915716 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/vol_cat.dat 83483 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/vol_dist_comp.png 10845 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/vol_dist_comp.xvg 348886 08-01-2018 10:54 methanol/pmatch/iter0/2-site/225K/vol_restart.dat 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/ 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/MOHpmatch_2.250.o2300021 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/MOHpmatch_2.250.o2312910 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/MOHpmatch_2.250.o2371400 51 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/Q.dat 255978 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/aa_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/aa_vol_dist.xvg 250479 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/aa_volumes.xvg 201087 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/angle_E.dat 118099 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/angle_E_restart.dat 584695 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/bond_E.dat 331565 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/bond_E_restart.dat 255121 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/cg_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/cg_vol_dist.xvg 250482 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/cg_volumes.xvg 106251 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/cgmethanol.data 3413 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/cgmethanol.lmp 618 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/config.ini 201087 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/coul_E.dat 118099 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/coul_E_restart.dat 603910 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/enthalpy.dat 342300 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/enthalpy_restart.dat 588 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/error_aa_vol_dist.xvg 588 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/g_cnt.dat 584655 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/kinetic_E.dat 331574 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/kinetic_E_restart.dat 33878 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/lammps_bond_CT-CH.table 116272 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/lammps_nb_CH-CH.table 116772 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/lammps_nb_CT-CH.table 115904 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/lammps_nb_CT-CT.table 809609 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/log.lammps 79 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/log.txt 1447550 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/out.dat 806659 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/out_restart.dat 83206300 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/outfile.xtc 604019 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/potential_E.dat 342297 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/potential_E_restart.dat 594338 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/press.dat 930456 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/press_cat.dat 336788 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/press_restart.dat 2725977 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/press_tens.dat 1523119 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/press_tens_restart.dat 76 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/psi.dat 278 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/qsub.sh 3491 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/restart.lmp 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/state1.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/state1_rs.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/state2.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/state2_rs.restart 584692 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/temp.dat 915565 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/temp_cat.dat 331530 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/temp_restart.dat 603902 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/vdw_E.dat 342283 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/vdw_E_restart.dat 584714 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/vol.dat 915589 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/vol_cat.dat 80897 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/vol_dist_comp.png 10886 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/vol_dist_comp.xvg 331529 08-01-2018 10:54 methanol/pmatch/iter0/2-site/250K/vol_restart.dat 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/ 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/MOHpmatch_2.275.o2300023 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/MOHpmatch_2.275.o2312912 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/MOHpmatch_2.275.o2371401 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/MOHpmatch_2.275.o2371404 53 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/Q.dat 255829 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/aa_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/aa_vol_dist.xvg 250475 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/aa_volumes.xvg 209821 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/angle_E.dat 109365 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/angle_E_restart.dat 609184 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/bond_E.dat 307003 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/bond_E_restart.dat 255124 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/cg_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/cg_vol_dist.xvg 250485 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/cg_volumes.xvg 106300 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/cgmethanol.data 3413 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/cgmethanol.lmp 618 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/config.ini 209821 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/coul_E.dat 109365 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/coul_E_restart.dat 629351 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/enthalpy.dat 316936 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/enthalpy_restart.dat 588 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/error_aa_vol_dist.xvg 588 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/g_cnt.dat 609167 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/kinetic_E.dat 306992 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/kinetic_E_restart.dat 33945 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/lammps_bond_CT-CH.table 116168 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/lammps_nb_CH-CH.table 116769 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/lammps_nb_CT-CH.table 115857 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/lammps_nb_CT-CT.table 750059 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/log.lammps 79 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/log.txt 1507102 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/out.dat 747110 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/out_restart.dat 77037728 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/outfile.xtc 629151 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/potential_E.dat 316972 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/potential_E_restart.dat 619282 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/press.dat 930576 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/press_cat.dat 311955 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/press_restart.dat 2838573 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/press_tens.dat 1410410 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/press_tens_restart.dat 76 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/psi.dat 278 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/qsub.sh 3490 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/restart.lmp 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/state1.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/state1_rs.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/state2.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/state2_rs.restart 609194 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/temp.dat 915553 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/temp_cat.dat 307015 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/temp_restart.dat 629246 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/vdw_E.dat 317010 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/vdw_E_restart.dat 609263 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/vol.dat 915702 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/vol_cat.dat 91708 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/vol_dist_comp.png 10921 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/vol_dist_comp.xvg 307096 08-01-2018 10:54 methanol/pmatch/iter0/2-site/275K/vol_restart.dat 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/ 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/MOHpmatch_2.300.o2300025 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/MOHpmatch_2.300.o2312913 0 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/MOHpmatch_2.300.o2371402 51 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/Q.dat 255870 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/aa_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/aa_vol_dist.xvg 250481 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/aa_volumes.xvg 216278 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/angle_E.dat 102908 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/angle_E_restart.dat 627336 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/bond_E.dat 288910 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/bond_E_restart.dat 254161 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/cg_pressures.xvg 399 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/cg_vol_dist.xvg 250480 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/cg_volumes.xvg 106294 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/cgmethanol.data 3411 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/cgmethanol.lmp 618 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/config.ini 216278 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/coul_E.dat 102908 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/coul_E_restart.dat 648048 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/enthalpy.dat 298338 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/enthalpy_restart.dat 588 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/error_aa_vol_dist.xvg 588 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/g_cnt.dat 627274 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/kinetic_E.dat 288901 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/kinetic_E_restart.dat 33897 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/lammps_bond_CT-CH.table 116007 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/lammps_nb_CH-CH.table 116775 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/lammps_nb_CT-CH.table 115890 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/lammps_nb_CT-CT.table 706032 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/log.lammps 79 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/log.txt 1551126 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/out.dat 703085 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/out_restart.dat 72496304 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/outfile.xtc 648024 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/potential_E.dat 298250 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/potential_E_restart.dat 637790 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/press.dat 930744 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/press_cat.dat 293621 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/press_restart.dat 2922719 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/press_tens.dat 1327596 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/press_tens_restart.dat 74 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/psi.dat 278 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/qsub.sh 3488 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/restart.lmp 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/state1.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/state1_rs.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/state2.restart 275316 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/state2_rs.restart 627333 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/temp.dat 915609 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/temp_cat.dat 288931 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/temp_restart.dat 647931 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/vdw_E.dat 298240 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/vdw_E_restart.dat 627312 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/vol.dat 915573 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/vol_cat.dat 92098 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/vol_dist_comp.png 10919 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/vol_dist_comp.xvg 288917 08-01-2018 10:54 methanol/pmatch/iter0/2-site/300K/vol_restart.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/ 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/ 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/ 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/MOHpmatch_1.200.o2310627 42 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/Q.dat 255506 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/aa_vol_dist.xvg 250477 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/angle_E.dat 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/bond_E.dat 930889 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/cg_vol_dist.xvg 915562 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/cg_volumes.dat 45228 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/cgmethanol.data 3298 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/cgmethanol.lmp 634 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/config.ini 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/coul_E.dat 915556 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/enthalpy.dat 588 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/g_cnt.dat 92792 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/iterative_improvement.png 12505 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/iterative_improvement.xvg 915521 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/kinetic_E.dat 116277 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/lammps_nb_CA-CA.table 2254391 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/log.txt 2251654 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/out.dat 140776348 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/outfile.xtc 915512 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/potential_E.dat 930764 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/press.dat 4244755 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/press_tens.dat 75 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/psi.dat 273 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/qsub.sh 130430 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/state1.restart 130430 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/state2.restart 915642 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/temp.dat 915512 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/vdw_E.dat 915614 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/vol.dat 87926 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/vol_dist_comp.png 10851 08-01-2018 10:55 methanol/pmatch/iter1/1-site/200K/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/ 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/MOHpmatch_1.225.o2310648 42 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/Q.dat 255699 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/aa_vol_dist.xvg 250482 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/angle_E.dat 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/bond_E.dat 930690 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/cg_vol_dist.xvg 915604 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/cg_volumes.dat 45258 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/cgmethanol.data 3298 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/cgmethanol.lmp 634 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/config.ini 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/coul_E.dat 915689 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/enthalpy.dat 588 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/g_cnt.dat 90161 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/iterative_improvement.png 12504 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/iterative_improvement.xvg 915592 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/kinetic_E.dat 116180 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/lammps_nb_CA-CA.table 2254390 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/log.txt 2251653 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/out.dat 140940364 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/outfile.xtc 915553 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/potential_E.dat 930917 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/press.dat 4244873 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/press_tens.dat 76 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/psi.dat 273 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/qsub.sh 130430 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/state1.restart 130430 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/state2.restart 915650 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/temp.dat 915553 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/vdw_E.dat 915632 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/vol.dat 82236 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/vol_dist_comp.png 10851 08-01-2018 10:55 methanol/pmatch/iter1/1-site/225K/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/ 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/MOHpmatch_1.250.o2310654 42 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/Q.dat 255978 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/aa_pressures.xvg 202655 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/aa_pv.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/aa_vol_dist.xvg 250479 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/angle_E.dat 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/bond_E.dat 930733 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/cg_pressures.dat 608710 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/cg_pv.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/cg_vol_dist.xvg 915662 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/cg_volumes.dat 45251 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/cgmethanol.data 3298 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/cgmethanol.lmp 634 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/config.ini 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/coul_E.dat 915624 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/enthalpy.dat 588 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/g_cnt.dat 76548 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/iterative_improvement.png 12528 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/iterative_improvement.xvg 915454 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/kinetic_E.dat 116267 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/lammps_nb_CA-CA.table 2254389 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/log.txt 2251654 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/out.dat 141071032 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/outfile.xtc 915488 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/potential_E.dat 930835 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/press.dat 4245216 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/press_tens.dat 75 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/psi.dat 273 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/qsub.sh 21899 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/rdf_CA-CA.xvg 130430 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/state1.restart 130430 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/state2.restart 915662 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/temp.dat 915488 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/vdw_E.dat 915689 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/vol.dat 71709 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/vol_dist_comp.png 10884 08-01-2018 10:55 methanol/pmatch/iter1/1-site/250K/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/ 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/MOHpmatch_1.275.o2310665 42 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/Q.dat 255829 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/aa_pressures.xvg 202750 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/aa_pv.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/aa_vol_dist.xvg 250475 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/angle_E.dat 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/bond_E.dat 930791 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/cg_pressures.dat 608524 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/cg_pv.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/cg_vol_dist.xvg 915646 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/cg_volumes.dat 45277 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/cgmethanol.data 3298 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/cgmethanol.lmp 634 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/config.ini 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/coul_E.dat 915687 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/enthalpy.dat 588 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/g_cnt.dat 90035 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/iterative_improvement.png 12580 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/iterative_improvement.xvg 915593 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/kinetic_E.dat 116252 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/lammps_nb_CA-CA.table 2254390 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/log.txt 2251655 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/out.dat 141012252 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/outfile.xtc 915560 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/potential_E.dat 930631 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/press.dat 4245082 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/press_tens.dat 75 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/psi.dat 273 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/qsub.sh 22098 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/rdf_CA-CA.xvg 130430 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/state1.restart 130430 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/state2.restart 915503 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/temp.dat 915560 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/vdw_E.dat 915767 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/vol.dat 79843 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/vol_dist_comp.png 10924 08-01-2018 10:55 methanol/pmatch/iter1/1-site/275K/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/ 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/MOHpmatch_1.300.o2310669 42 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/Q.dat 255870 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/aa_pressures.xvg 202675 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/aa_pv.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/aa_vol_dist.xvg 250481 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/angle_E.dat 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/bond_E.dat 931097 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/cg_pressures.dat 608327 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/cg_pv.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/cg_vol_dist.xvg 915615 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/cg_volumes.dat 45271 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/cgmethanol.data 3298 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/cgmethanol.lmp 634 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/config.ini 318930 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/coul_E.dat 915653 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/enthalpy.dat 588 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/g_cnt.dat 92043 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/iterative_improvement.png 12576 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/iterative_improvement.xvg 915521 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/kinetic_E.dat 116332 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/lammps_nb_CA-CA.table 2254391 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/log.txt 2251656 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/out.dat 141214636 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/outfile.xtc 915551 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/potential_E.dat 930769 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/press.dat 4245121 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/press_tens.dat 75 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/psi.dat 273 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/qsub.sh 22393 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/rdf_CA-CA.xvg 130430 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/state1.restart 130430 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/state2.restart 915537 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/temp.dat 915551 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/vdw_E.dat 915617 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/vol.dat 83161 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/vol_dist_comp.png 10923 08-01-2018 10:55 methanol/pmatch/iter1/1-site/300K/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/ 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/ 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/MOHpmatch_2.200.o2399233 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/MOHpmatch_2.200.o2462935 42 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/Q.dat 255506 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/aa_vol_dist.xvg 250477 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/aa_volumes.xvg 188217 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/angle_E.dat 130969 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/angle_E_restart.dat 548584 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/bond_E.dat 367683 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/bond_E_restart.dat 930496 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/cg_vol_dist.xvg 915497 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/cg_volumes.dat 106221 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/cgmethanol.data 3413 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/cgmethanol.lmp 635 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/config.ini 188217 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/coul_E.dat 130969 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/coul_E_restart.dat 566695 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/enthalpy.dat 379612 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/enthalpy_restart.dat 588 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/g_cnt.dat 96035 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/iterative_improvement.png 12495 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/iterative_improvement.xvg 548603 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/kinetic_E.dat 367659 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/kinetic_E_restart.dat 33834 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/lammps_bond_CT-CH.table 116734 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/lammps_nb_CH-CH.table 116705 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/lammps_nb_CT-CH.table 115864 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/lammps_nb_CT-CT.table 897364 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/log.txt 1359803 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/out.dat 894414 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/out_restart.dat 92299252 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/outfile.xtc 566698 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/potential_E.dat 379646 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/potential_E_restart.dat 557699 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/press.dat 930677 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/press_cat.dat 373643 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/press_restart.dat 2558729 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/press_tens.dat 1688400 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/press_tens_restart.dat 76 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/psi.dat 278 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/qsub.sh 3491 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/restart.lmp 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/state1.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/state1_rs.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/state2.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/state2_rs.restart 548474 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/temp.dat 915582 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/temp_cat.dat 367762 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/temp_restart.dat 566636 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/vdw_E.dat 379674 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/vdw_E_restart.dat 548518 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/vol.dat 915585 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/vol_cat.dat 89452 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/vol_dist_comp.png 10844 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/vol_dist_comp.xvg 367722 08-01-2018 10:55 methanol/pmatch/iter1/2-site/200K/vol_restart.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/ 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/MOHpmatch_2.225.o2399262 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/MOHpmatch_2.225.o2462941 42 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/Q.dat 255699 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/aa_vol_dist.xvg 250482 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/aa_volumes.xvg 185951 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/angle_E.dat 133235 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/angle_E_restart.dat 542304 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/bond_E.dat 374114 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/bond_E_restart.dat 930704 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/cg_vol_dist.xvg 915716 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/cg_volumes.dat 106270 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/cgmethanol.data 3412 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/cgmethanol.lmp 635 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/config.ini 185951 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/coul_E.dat 133235 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/coul_E_restart.dat 560250 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/enthalpy.dat 386194 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/enthalpy_restart.dat 588 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/g_cnt.dat 93200 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/iterative_improvement.png 12501 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/iterative_improvement.xvg 542235 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/kinetic_E.dat 374064 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/kinetic_E_restart.dat 33821 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/lammps_bond_CT-CH.table 116169 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/lammps_nb_CH-CH.table 116770 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/lammps_nb_CT-CH.table 116092 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/lammps_nb_CT-CT.table 912814 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/log.txt 1344350 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/out.dat 909865 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/out_restart.dat 93884048 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/outfile.xtc 560081 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/potential_E.dat 386225 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/potential_E_restart.dat 551154 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/press.dat 930632 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/press_cat.dat 380140 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/press_restart.dat 2533320 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/press_tens.dat 1720180 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/press_tens_restart.dat 75 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/psi.dat 278 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/qsub.sh 3490 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/restart.lmp 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/state1.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/state1_rs.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/state2.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/state2_rs.restart 542160 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/temp.dat 915546 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/temp_cat.dat 374039 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/temp_restart.dat 560106 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/vdw_E.dat 386190 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/vdw_E_restart.dat 542208 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/vol.dat 915627 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/vol_cat.dat 85870 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/vol_dist_comp.png 10852 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/vol_dist_comp.xvg 374074 08-01-2018 10:55 methanol/pmatch/iter1/2-site/225K/vol_restart.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/ 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/MOHpmatch_2.250.o2399274 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/MOHpmatch_2.250.o2462944 42 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/Q.dat 255978 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/aa_vol_dist.xvg 250479 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/aa_volumes.xvg 197677 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/angle_E.dat 121509 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/angle_E_restart.dat 575120 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/bond_E.dat 341157 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/bond_E_restart.dat 930456 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/cg_vol_dist.xvg 915589 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/cg_volumes.dat 106251 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/cgmethanol.data 3412 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/cgmethanol.lmp 635 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/config.ini 197677 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/coul_E.dat 121509 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/coul_E_restart.dat 594103 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/enthalpy.dat 352266 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/enthalpy_restart.dat 588 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/g_cnt.dat 82860 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/iterative_improvement.png 12541 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/iterative_improvement.xvg 575048 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/kinetic_E.dat 341156 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/kinetic_E_restart.dat 33878 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/lammps_bond_CT-CH.table 116272 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/lammps_nb_CH-CH.table 116772 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/lammps_nb_CT-CH.table 115904 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/lammps_nb_CT-CT.table 832868 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/log.txt 1424300 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/out.dat 829919 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/out_restart.dat 85612668 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/outfile.xtc 594063 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/potential_E.dat 352208 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/potential_E_restart.dat 584646 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/press.dat 930588 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/press_cat.dat 346609 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/press_restart.dat 2683170 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/press_tens.dat 1567814 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/press_tens_restart.dat 75 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/psi.dat 278 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/qsub.sh 3490 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/restart.lmp 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/state1.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/state1_rs.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/state2.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/state2_rs.restart 575147 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/temp.dat 915627 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/temp_cat.dat 341137 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/temp_restart.dat 594046 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/vdw_E.dat 352149 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/vdw_E_restart.dat 575100 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/vol.dat 915606 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/vol_cat.dat 80411 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/vol_dist_comp.png 10887 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/vol_dist_comp.xvg 341161 08-01-2018 10:55 methanol/pmatch/iter1/2-site/250K/vol_restart.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/ 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/MOHpmatch_2.275.o2399539 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/MOHpmatch_2.275.o2462950 42 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/Q.dat 255829 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/aa_vol_dist.xvg 250475 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/aa_volumes.xvg 204904 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/angle_E.dat 114282 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/angle_E_restart.dat 595479 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/bond_E.dat 320809 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/bond_E_restart.dat 930576 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/cg_vol_dist.xvg 915702 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/cg_volumes.dat 106300 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/cgmethanol.data 3413 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/cgmethanol.lmp 635 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/config.ini 204904 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/coul_E.dat 114282 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/coul_E_restart.dat 614918 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/enthalpy.dat 331271 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/enthalpy_restart.dat 588 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/g_cnt.dat 95588 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/iterative_improvement.png 12577 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/iterative_improvement.xvg 595344 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/kinetic_E.dat 320851 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/kinetic_E_restart.dat 33945 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/lammps_bond_CT-CH.table 116168 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/lammps_nb_CH-CH.table 116769 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/lammps_nb_CT-CH.table 115857 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/lammps_nb_CT-CT.table 783590 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/log.txt 1473576 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/out.dat 780640 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/out_restart.dat 80508772 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/outfile.xtc 615022 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/potential_E.dat 331273 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/potential_E_restart.dat 605291 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/press.dat 930639 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/press_cat.dat 326017 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/press_restart.dat 2776443 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/press_tens.dat 1474445 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/press_tens_restart.dat 76 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/psi.dat 278 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/qsub.sh 3491 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/restart.lmp 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/state1.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/state1_rs.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/state2.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/state2_rs.restart 595349 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/temp.dat 915513 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/temp_cat.dat 320821 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/temp_restart.dat 615002 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/vdw_E.dat 331209 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/vdw_E_restart.dat 595440 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/vol.dat 915599 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/vol_cat.dat 84800 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/vol_dist_comp.png 10928 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/vol_dist_comp.xvg 320812 08-01-2018 10:55 methanol/pmatch/iter1/2-site/275K/vol_restart.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/ 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/MOHpmatch_2.300.o2399675 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/MOHpmatch_2.300.o2462952 0 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/MOHpmatch_2.300.o2509616 42 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/Q.dat 255870 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/aa_vol_dist.xvg 250481 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/aa_volumes.xvg 114341 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/angle_E.dat 204845 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/angle_E_restart.dat 341118 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/bond_E.dat 575157 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/bond_E_restart.dat 930744 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/cg_vol_dist.xvg 915573 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/cg_volumes.dat 106294 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/cgmethanol.data 3411 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/cgmethanol.lmp 635 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/config.ini 114341 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/coul_E.dat 204845 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/coul_E_restart.dat 352447 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/enthalpy.dat 593795 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/enthalpy_restart.dat 588 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/g_cnt.dat 96378 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/iterative_improvement.png 12569 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/iterative_improvement.xvg 341076 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/kinetic_E.dat 575219 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/kinetic_E_restart.dat 33897 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/lammps_bond_CT-CH.table 116007 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/lammps_nb_CH-CH.table 116775 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/lammps_nb_CT-CH.table 115890 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/lammps_nb_CT-CT.table 1401062 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/log.txt 856103 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/out.dat 1398114 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/out_restart.dat 144335828 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/outfile.xtc 352485 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/potential_E.dat 593765 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/potential_E_restart.dat 346863 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/press.dat 930848 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/press_cat.dat 584653 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/press_restart.dat 1608464 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/press_tens.dat 2644664 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/press_tens_restart.dat 74 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/psi.dat 278 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/qsub.sh 3489 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/restart.lmp 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/state1.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/state1_rs.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/state2.restart 275316 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/state2_rs.restart 341090 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/temp.dat 915519 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/temp_cat.dat 575085 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/temp_restart.dat 352473 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/vdw_E.dat 593757 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/vdw_E_restart.dat 341121 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/vol.dat 915556 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/vol_cat.dat 87280 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/vol_dist_comp.png 10918 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/vol_dist_comp.xvg 575089 08-01-2018 10:55 methanol/pmatch/iter1/2-site/300K/vol_restart.dat 0 08-01-2018 10:55 methanol/pmatch/iter2/ 0 08-01-2018 10:55 methanol/pmatch/iter2/1-site/ 0 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/ 18 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/MOHpmatch_1.200.o2329634 42 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/Q.dat 255506 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/aa_vol_dist.xvg 250477 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/angle_E.dat 318930 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/bond_E.dat 930764 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/cg_vol_dist.xvg 915614 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/cg_volumes.dat 45228 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/cgmethanol.data 3298 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/cgmethanol.lmp 634 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/config.ini 318930 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/coul_E.dat 915615 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/enthalpy.dat 588 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/g_cnt.dat 91926 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/iterative_improvement.png 14198 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/iterative_improvement.xvg 915610 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/kinetic_E.dat 116277 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/lammps_nb_CA-CA.table 2254388 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/log.txt 2251651 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/out.dat 140777892 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/outfile.xtc 915533 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/potential_E.dat 930835 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/press.dat 4245257 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/press_tens.dat 75 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/psi.dat 273 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/qsub.sh 130430 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/state1.restart 130430 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/state2.restart 915636 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/temp.dat 915533 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/vdw_E.dat 915561 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/vol.dat 88080 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/vol_dist_comp.png 10854 08-01-2018 10:55 methanol/pmatch/iter2/1-site/200K/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/ 18 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/MOHpmatch_1.225.o2329644 42 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/Q.dat 255699 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/aa_vol_dist.xvg 250482 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/angle_E.dat 318930 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/bond_E.dat 930917 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/cg_vol_dist.xvg 915632 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/cg_volumes.dat 45258 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/cgmethanol.data 3299 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/cgmethanol.lmp 634 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/config.ini 318930 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/coul_E.dat 915533 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/enthalpy.dat 588 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/g_cnt.dat 85319 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/iterative_improvement.png 14188 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/iterative_improvement.xvg 915528 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/kinetic_E.dat 116180 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/lammps_nb_CA-CA.table 2254391 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/log.txt 2251653 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/out.dat --------- ------- 8345075585 1317 files ===================================================== Content of ZIP archive methanol-23.zip ===================================================== Archive: methanol-23.zip Length Date Time Name --------- ---------- ----- ---- 140933140 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/outfile.xtc 915616 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/potential_E.dat 930810 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/press.dat 4245035 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/press_tens.dat 76 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/psi.dat 273 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/qsub.sh 130430 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/state1.restart 130430 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/state2.restart 915669 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/temp.dat 915616 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/vdw_E.dat 915533 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/vol.dat 82437 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/vol_dist_comp.png 10845 08-01-2018 10:55 methanol/pmatch/iter2/1-site/225K/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/iter2/2-site/ 0 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/ 18 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/MOHpmatch_2.200.o2493968 0 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/MOHpmatch_2.200.o2509618 42 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/Q.dat 255506 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/aa_vol_dist.xvg 250477 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/aa_volumes.xvg 175710 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/angle_E.dat 143476 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/angle_E_restart.dat 513402 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/bond_E.dat 402827 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/bond_E_restart.dat 930677 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/cg_vol_dist.xvg 915585 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/cg_volumes.dat 106221 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/cgmethanol.data 3411 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/cgmethanol.lmp 635 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/config.ini 175710 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/coul_E.dat 143476 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/coul_E_restart.dat 530374 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/enthalpy.dat 415845 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/enthalpy_restart.dat 588 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/g_cnt.dat 95032 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/iterative_improvement.png 14171 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/iterative_improvement.xvg 513427 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/kinetic_E.dat 402818 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/kinetic_E_restart.dat 33834 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/lammps_bond_CT-CH.table 116734 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/lammps_nb_CH-CH.table 116705 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/lammps_nb_CT-CH.table 115864 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/lammps_nb_CT-CT.table 982635 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/log.txt 1274528 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/out.dat 979687 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/out_restart.dat 101122368 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/outfile.xtc 530305 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/potential_E.dat 415953 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/potential_E_restart.dat 522050 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/press.dat 930833 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/press_cat.dat 409451 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/press_restart.dat 2397553 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/press_tens.dat 1849474 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/press_tens_restart.dat 74 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/psi.dat 278 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/qsub.sh 3489 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/restart.lmp 275316 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/state1.restart 275316 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/state1_rs.restart 275316 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/state2.restart 275316 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/state2_rs.restart 513365 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/temp.dat 915543 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/temp_cat.dat 402833 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/temp_restart.dat 530321 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/vdw_E.dat 415828 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/vdw_E_restart.dat 513503 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/vol.dat 915640 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/vol_cat.dat 90914 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/vol_dist_comp.png 10842 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/vol_dist_comp.xvg 402792 08-01-2018 10:55 methanol/pmatch/iter2/2-site/200K/vol_restart.dat 0 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/ 18 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/MOHpmatch_2.225.o2493991 0 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/MOHpmatch_2.225.o2509620 42 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/Q.dat 255699 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/aa_vol_dist.xvg 250482 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/aa_volumes.xvg 188976 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/angle_E.dat 130210 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/angle_E_restart.dat 550638 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/bond_E.dat 365579 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/bond_E_restart.dat 930632 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/cg_vol_dist.xvg 915627 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/cg_volumes.dat 106270 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/cgmethanol.data 3412 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/cgmethanol.lmp 635 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/config.ini 188976 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/coul_E.dat 130210 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/coul_E_restart.dat 568856 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/enthalpy.dat 377414 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/enthalpy_restart.dat 588 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/g_cnt.dat 95710 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/iterative_improvement.png 14197 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/iterative_improvement.xvg 550634 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/kinetic_E.dat 365605 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/kinetic_E_restart.dat 33821 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/lammps_bond_CT-CH.table 116169 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/lammps_nb_CH-CH.table 116770 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/lammps_nb_CT-CH.table 116092 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/lammps_nb_CT-CT.table 892190 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/log.txt 1364977 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/out.dat 889241 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/out_restart.dat 91753376 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/outfile.xtc 568865 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/potential_E.dat 377425 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/potential_E_restart.dat 559735 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/press.dat 930707 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/press_cat.dat 371640 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/press_restart.dat 2572539 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/press_tens.dat 1681018 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/press_tens_restart.dat 75 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/psi.dat 278 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/qsub.sh 3490 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/restart.lmp 275316 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/state1.restart 275316 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/state1_rs.restart 275316 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/state2.restart 275316 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/state2_rs.restart 550639 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/temp.dat 915553 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/temp_cat.dat 365569 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/temp_restart.dat 568831 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/vdw_E.dat 377441 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/vdw_E_restart.dat 550661 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/vol.dat 915618 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/vol_cat.dat 88347 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/vol_dist_comp.png 10859 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/vol_dist_comp.xvg 365609 08-01-2018 10:55 methanol/pmatch/iter2/2-site/225K/vol_restart.dat 0 08-01-2018 10:55 methanol/pmatch/iter3/ 0 08-01-2018 10:55 methanol/pmatch/iter3/1-site/ 0 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/ 18 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/MOHpmatch_1.200.o2363712 42 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/Q.dat 255506 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/aa_pressures.xvg 202491 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/aa_pv.dat 399 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/aa_vol_dist.xvg 250477 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/angle_E.dat 318930 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/bond_E.dat 930835 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/cg_pressures.dat 608584 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/cg_pv.dat 399 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/cg_vol_dist.xvg 915561 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/cg_volumes.dat 45228 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/cgmethanol.data 3298 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/cgmethanol.lmp 634 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/config.ini 318930 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/coul_E.dat 915642 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/enthalpy.dat 588 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/g_cnt.dat 99134 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/iterative_improvement.png 15884 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/iterative_improvement.xvg 915533 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/kinetic_E.dat 116277 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/lammps_nb_CA-CA.table 2254388 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/log.txt 2251653 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/out.dat 140783748 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/outfile.xtc 915556 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/potential_E.dat 930793 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/press.dat 4245347 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/press_tens.dat 75 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/psi.dat 273 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/qsub.sh 21466 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/rdf_CA-CA.xvg 130430 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/state1.restart 130430 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/state2.restart 915610 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/temp.dat 915556 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/vdw_E.dat 915565 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/vol.dat 75559 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/vol_dist_comp.png 10787 08-01-2018 10:55 methanol/pmatch/iter3/1-site/200K/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/ 18 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/MOHpmatch_1.225.o2363763 42 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/Q.dat 255699 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/aa_pressures.xvg 202743 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/aa_pv.dat 399 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/aa_vol_dist.xvg 250482 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/aa_volumes.xvg 318930 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/angle_E.dat 318930 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/bond_E.dat 930810 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/cg_pressures.dat 608469 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/cg_pv.dat 399 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/cg_vol_dist.xvg 915533 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/cg_volumes.dat 45258 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/cgmethanol.data 3299 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/cgmethanol.lmp 634 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/config.ini 318930 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/coul_E.dat 915576 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/enthalpy.dat 588 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/g_cnt.dat 98610 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/iterative_improvement.png 15866 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/iterative_improvement.xvg 915516 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/kinetic_E.dat 116180 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/lammps_nb_CA-CA.table 2254392 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/log.txt 2251654 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/out.dat 140923888 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/outfile.xtc 915551 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/potential_E.dat 930716 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/press.dat 4244916 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/press_tens.dat 76 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/psi.dat 273 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/qsub.sh 21634 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/rdf_CA-CA.xvg 130430 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/state1.restart 130430 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/state2.restart 915692 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/temp.dat 915551 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/vdw_E.dat 915662 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/vol.dat 84105 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/vol_dist_comp.png 10839 08-01-2018 10:55 methanol/pmatch/iter3/1-site/225K/vol_dist_comp.xvg 0 08-01-2018 10:55 methanol/pmatch/iter3/2-site/ 0 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/ 18 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/AA_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/CG_Q.dat 18 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/CG_g_cnt.dat 0 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/MOHpmatch_2.200.o2539872 0 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/MOHpmatch_2.200.o3466172 42 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/Q.dat 255506 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/aa_pressures.xvg 399 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/aa_vol_dist.xvg 250477 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/aa_volumes.xvg 179340 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/angle_E.dat 139846 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/angle_E_restart.dat 523680 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/bond_E.dat 392718 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/bond_E_restart.dat 930833 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/cg_pressures.dat 399 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/cg_vol_dist.xvg 915640 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/cg_volumes.dat 106221 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/cgmethanol.data 3411 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/cgmethanol.lmp 635 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/config.ini 179340 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/coul_E.dat 139846 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/coul_E_restart.dat 540844 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/enthalpy.dat 405350 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/enthalpy_restart.dat 588 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/g_cnt.dat 109962 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/iterative_improvement.png 15867 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/iterative_improvement.xvg 523604 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/kinetic_E.dat 392680 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/kinetic_E_restart.dat 33834 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/lammps_bond_CT-CH.table 116734 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/lammps_nb_CH-CH.table 116705 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/lammps_nb_CT-CH.table 115864 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/lammps_nb_CT-CT.table 957879 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/log.lammps 158 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/log.txt 1299278 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/out.dat 955574 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/out_restart.dat 98546780 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/outfile.xtc 540921 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/potential_E.dat 405371 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/potential_E_restart.dat 532390 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/press.dat 930696 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/press_cat.dat 398971 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/press_restart.dat 2444239 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/press_tens.dat 1802808 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/press_tens_restart.dat 74 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/psi.dat 278 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/qsub.sh 3489 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/restart.lmp 275316 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/state1.restart 275316 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/state1_rs.restart 275316 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/state2.restart 275316 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/state2_rs.restart 523664 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/temp.dat 915624 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/temp_cat.dat 392614 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/temp_restart.dat 540943 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/vdw_E.dat 405330 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/vdw_E_restart.dat 523683 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/vol.dat 915745 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/vol_cat.dat 91643 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/vol_dist_comp.png 10858 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/vol_dist_comp.xvg 392715 08-01-2018 10:55 methanol/pmatch/iter3/2-site/200K/vol_restart.dat 10335 08-01-2018 10:54 methanol/pmatch/mdout.mdp 0 08-01-2018 10:54 methanol/pmatch/out.dat 59336 08-01-2018 10:54 methanol/pmatch/pressure_correction.png 168332 08-01-2018 10:55 methanol/pmatch/pressure_correction.xvg 4713 08-01-2018 10:54 methanol/pmatch/sample_aa_pv_eos_200.dat 3727 08-01-2018 10:54 methanol/pmatch/sample_aa_pv_eos_225.dat 2710 08-01-2018 10:54 methanol/pmatch/sample_aa_pv_eos_250.dat 2427 08-01-2018 10:55 methanol/pmatch/sample_aa_pv_eos_275.dat 2625 08-01-2018 10:54 methanol/pmatch/sample_aa_pv_eos_300.dat 1799 08-01-2018 10:54 methanol/pmatch/sample_cg_pv_eos_200.dat 2131 08-01-2018 10:55 methanol/pmatch/sample_cg_pv_eos_225.dat 2362 08-01-2018 10:55 methanol/pmatch/sample_cg_pv_eos_250.dat 2468 08-01-2018 10:54 methanol/pmatch/sample_cg_pv_eos_275.dat 2858 08-01-2018 10:54 methanol/pmatch/sample_cg_pv_eos_300.dat 56632 08-01-2018 10:54 methanol/pmatch/vol_list.dat 2887 08-01-2018 10:54 methanol/pmatch/xvg_distro.py 3807 08-01-2018 10:54 methanol/pmatch/xvg_trace.py 0 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/ 0 09-14-2018 16:33 methanol/predicted_CG_potls_howdotheydo/NPT/ 6781 09-14-2018 16:33 methanol/predicted_CG_potls_howdotheydo/NPT/block_error_pv_curve.dat 47904 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/cg_methanol.tpr 555520 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/density_200.dat 555462 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/density_210.dat 555437 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/density_225.dat 555479 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/density_250.dat 555553 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NPT/density_275.dat 555583 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/density_290.dat 555594 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/density_300.dat 6854 09-14-2018 16:33 methanol/predicted_CG_potls_howdotheydo/NPT/error_pv_curve.dat 0 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/ 82845 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/all_predicted_forces.agr 0 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/gen_MOH_forces.o6562264 2320 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/gen_forces.bat 10322 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/gen_forces.py 9335 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_200K.dat 9414 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_200K_new.dat 9341 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_210K.dat 9409 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_210K_new.dat 9342 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_225K.dat 9404 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_225K_new.dat 9370 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_250K.dat 9447 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_250K_new.dat 9362 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_275K.dat 9451 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_275K_new.dat 9406 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_290K.dat 9435 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_290K_new.dat 9418 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_300K.dat 9447 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/predicted_forces_300K_new.dat 220 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/qsub.sh 1131 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/run.make_tables.sh 291413 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_200.xvg 291533 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_200_new.xvg 291403 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_210.xvg 291512 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_210_new.xvg 291385 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_225.xvg 291504 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_225_new.xvg 291378 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_250.xvg 291503 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_250_new.xvg 291371 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_275.xvg 291543 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_275_new.xvg 291405 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_290.xvg 291544 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_290_new.xvg 291408 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_300.xvg 291551 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/gen_potentials/table_CA_CA_300_new.xvg 0 09-14-2018 16:33 methanol/predicted_CG_potls_howdotheydo/NPT/out.dat 4738 09-14-2018 16:33 methanol/predicted_CG_potls_howdotheydo/NPT/pv_curve.dat 0 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/ 21450 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/#rdf_CA-CA.xvg.1# 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/MOH_pmatch_200.o6566235 0 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/MOH_pmatch_200.o6585661 318930 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/angle_E.dat 318930 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/bond_E.dat 65837 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/cg_methanol.gro 2063468780 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/cg_methanol.trr 399 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/cg_vol_dist.xvg 45208 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/cgmethanol.data 3021 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/cgmethanol.lmp 318930 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/coul_E.dat 765588 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/enthalpy.dat 588 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/error_cg_vol_dist.xvg 765604 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/kinetic_E.dat 116251 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/lammps_nb_CA-CA.table 2255183 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/log.lammps 2256127 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/out.dat 765644 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/potential_E.dat 780730 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/press.dat 3344588 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/press_tens.dat 361 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/qsub.sh 21429 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/rdf_CA-CA.xvg 130719 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/state1.restart 130719 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/state2.restart 291533 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/table_CA_CA.xvg 765690 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/temp.dat 2714639241 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/trajdump.txt 765644 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/vdw_E.dat 765670 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_200/vol.dat 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/ 21482 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/#rdf_CA-CA.xvg.1# 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/MOH_pmatch_210.o6566237 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/MOH_pmatch_210.o6585662 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/angle_E.dat 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/bond_E.dat 65836 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/cg_methanol.gro --------- ------- 5632955161 397 files ===================================================== Content of ZIP archive methanol-24.zip ===================================================== Archive: methanol-24.zip Length Date Time Name --------- ---------- ----- ---- 2063468780 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/cg_methanol.trr 399 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/cg_vol_dist.xvg 45216 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/cgmethanol.data 3021 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/cgmethanol.lmp 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/coul_E.dat 765571 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/enthalpy.dat 588 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/error_cg_vol_dist.xvg 765529 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/kinetic_E.dat 116229 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/lammps_nb_CA-CA.table 2255181 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/log.lammps 2256125 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/out.dat 765632 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/potential_E.dat 780802 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/press.dat 3345212 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/press_tens.dat 361 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/qsub.sh 21480 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/rdf_CA-CA.xvg 130719 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/state1.restart 130719 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/state2.restart 291512 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/table_CA_CA.xvg 765582 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/temp.dat 2714520373 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/trajdump.txt 765632 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/vdw_E.dat 765590 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_210/vol.dat 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/ 21652 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/#rdf_CA-CA.xvg.1# 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/MOH_pmatch_225.o6566238 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/MOH_pmatch_225.o6585663 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/angle_E.dat 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/bond_E.dat 65837 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/cg_methanol.gro 2063468780 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/cg_methanol.trr 399 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/cg_vol_dist.xvg 45238 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/cgmethanol.data 3021 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/cgmethanol.lmp 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/coul_E.dat 765570 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/enthalpy.dat 588 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/error_cg_vol_dist.xvg 765515 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/kinetic_E.dat 116219 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/lammps_nb_CA-CA.table 2255181 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/log.lammps 2256125 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/out.dat 765648 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/potential_E.dat 780785 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/press.dat 3345164 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/press_tens.dat 361 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/qsub.sh 21657 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/rdf_CA-CA.xvg 130719 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/state1.restart 130719 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/state2.restart 291504 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/table_CA_CA.xvg 765670 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/temp.dat --------- ------- 6869232325 50 files ===================================================== Content of ZIP archive methanol-25.zip ===================================================== Archive: methanol-25.zip Length Date Time Name --------- ---------- ----- ---- 2713946871 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/trajdump.txt 765648 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/vdw_E.dat 765707 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_225/vol.dat 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/ 21877 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/#rdf_CA-CA.xvg.1# 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/MOH_pmatch_250.o6566241 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/MOH_pmatch_250.o6585664 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/angle_E.dat 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/bond_E.dat 65837 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/cg_methanol.gro 2063468780 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/cg_methanol.trr 399 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/cg_vol_dist.xvg 45231 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/cgmethanol.data 3021 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/cgmethanol.lmp 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/coul_E.dat 765551 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/enthalpy.dat 588 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/error_cg_vol_dist.xvg 765587 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/kinetic_E.dat 116215 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/lammps_nb_CA-CA.table 2255182 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/log.lammps 2256126 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/out.dat 765506 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/potential_E.dat 780997 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/press.dat 3345332 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/press_tens.dat 361 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/qsub.sh 21886 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/rdf_CA-CA.xvg 130719 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/state1.restart 130719 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/state2.restart 291503 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/table_CA_CA.xvg 765597 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/temp.dat 2713726643 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/trajdump.txt 765506 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/vdw_E.dat 765575 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_250/vol.dat 0 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/ 22135 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/#rdf_CA-CA.xvg.1# 0 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/MOH_pmatch_275.o6566242 0 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/MOH_pmatch_275.o6585665 318930 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/angle_E.dat 318930 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/bond_E.dat 65837 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/cg_methanol.gro --------- ------- 7508415586 40 files ===================================================== Content of ZIP archive methanol-26.zip ===================================================== Archive: methanol-26.zip Length Date Time Name --------- ---------- ----- ---- 2063468780 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/cg_methanol.trr 399 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/cg_vol_dist.xvg 45257 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/cgmethanol.data 3021 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/cgmethanol.lmp 318930 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/coul_E.dat 765477 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/enthalpy.dat 588 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/error_cg_vol_dist.xvg 765628 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/kinetic_E.dat 116251 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/lammps_nb_CA-CA.table 2255185 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/log.lammps 2256129 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/out.dat 765571 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/potential_E.dat 780786 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/press.dat 3345243 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/press_tens.dat 361 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/qsub.sh 22118 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/rdf_CA-CA.xvg 130719 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/state1.restart 130719 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/state2.restart 291543 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/table_CA_CA.xvg 765615 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/temp.dat 2714064541 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/trajdump.txt 765571 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/vdw_E.dat 765583 08-01-2018 11:00 methanol/predicted_CG_potls_howdotheydo/NPT/run_275/vol.dat 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/ 22219 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/#rdf_CA-CA.xvg.1# 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/MOH_pmatch_290.o6566244 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/MOH_pmatch_290.o6585666 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/angle_E.dat 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/bond_E.dat 65836 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/cg_methanol.gro 2063468780 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/cg_methanol.trr 399 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/cg_vol_dist.xvg 45255 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/cgmethanol.data 3020 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/cgmethanol.lmp 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/coul_E.dat 765568 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/enthalpy.dat 588 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/error_cg_vol_dist.xvg 765503 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/kinetic_E.dat 116251 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/lammps_nb_CA-CA.table 2255182 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/log.lammps 2256127 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/out.dat 765638 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/potential_E.dat 780884 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/press.dat 3344925 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/press_tens.dat 361 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/qsub.sh 22237 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/rdf_CA-CA.xvg 130719 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/state1.restart 130719 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/state2.restart 291544 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/table_CA_CA.xvg 765634 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/temp.dat --------- ------- 6868778194 50 files ===================================================== Content of ZIP archive methanol-27.zip ===================================================== Archive: methanol-27.zip Length Date Time Name --------- ---------- ----- ---- 2714489527 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/trajdump.txt 765638 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/vdw_E.dat 765562 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_290/vol.dat 0 09-14-2018 16:31 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/ 22363 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/#rdf_CA-CA.xvg.1# 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/MOH_pmatch_300.o6566248 0 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/MOH_pmatch_300.o6585667 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/angle_E.dat 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/bond_E.dat 65837 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/cg_methanol.gro 2063468780 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/cg_methanol.trr 399 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/cg_vol_dist.xvg 45251 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/cgmethanol.data 3020 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/cgmethanol.lmp 318930 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/coul_E.dat 765516 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/enthalpy.dat 588 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/error_cg_vol_dist.xvg 765645 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/kinetic_E.dat 116256 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/lammps_nb_CA-CA.table 2255179 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/log.lammps 2256124 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/out.dat 765590 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/potential_E.dat 780757 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/press.dat 3345099 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/press_tens.dat 608305 09-14-2018 16:31 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/pv.dat 361 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/qsub.sh 22390 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/rdf_CA-CA.xvg 130719 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/state1.restart 130719 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/state2.restart 291551 08-01-2018 10:59 methanol/predicted_CG_potls_howdotheydo/NPT/run_300/table_CA_CA.xvg 765597 08-01-2018 10:59 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methanol/predicted_CG_potls_howdotheydo/NVT/gen_potentials/table_CA_CA_225.xvg 291587 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/gen_potentials/table_CA_CA_275.xvg 291459 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/gen_potentials/table_CA_CA_300.xvg 0 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_200/ 8153 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_200/#mdrun-cg_methanol.log.1# 0 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_200/MOH_200.o6565689 65803 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_200/cg_methanol.confout.gro 8441072 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_200/cg_methanol.edr 65837 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_200/cg_methanol.gro 2172 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_200/cg_methanol.mdp 635 08-01-2018 10:58 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methanol/predicted_CG_potls_howdotheydo/NVT/run_200/state_prev.cpt 292006 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_200/table_CA_CA.xvg 0 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/ 8177 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/#mdrun-cg_methanol.log.1# 0 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/MOH_225.o6565775 65803 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/cg_methanol.confout.gro 8441072 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/cg_methanol.edr 65837 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/cg_methanol.gro 2172 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/cg_methanol.mdp 635 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/cg_methanol.top 47904 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/cg_methanol.tpr --------- ------- 8220837717 84 files ===================================================== Content of ZIP archive methanol-28.zip ===================================================== Archive: methanol-28.zip Length Date Time Name --------- ---------- ----- ---- 687868780 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/cg_methanol.trr 3314 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/grompp-cg_methanol.log 17378 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/index.ndx 10321 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/mdout-cg_methanol.mdp 4313525 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/mdrun-cg_methanol.log 206 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/qsub.sh 22184 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/rdf_CA-CA.xvg 1260 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/run_gmx.sh 80596 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/state.cpt 80596 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/state_prev.cpt 291936 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_225/table_CA_CA.xvg 0 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_275/ 8169 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_275/#mdrun-cg_methanol.log.1# 0 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_275/MOH_275.o6565777 65803 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_275/cg_methanol.confout.gro 8441072 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_275/cg_methanol.edr 65837 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_275/cg_methanol.gro 2172 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_275/cg_methanol.mdp 635 08-01-2018 10:58 methanol/predicted_CG_potls_howdotheydo/NVT/run_275/cg_methanol.top 47904 08-01-2018 10:58 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methanol/predicted_CG_potls_howdotheydo/gen_predicted_rdfs.log 26789 09-14-2018 16:38 methanol/predicted_PV_curve.agr 78071 09-14-2018 16:38 methanol/predicted_PV_curve.png 0 08-01-2018 11:00 methanol/tables/ 291571 08-01-2018 11:00 methanol/tables/1.NPT.200_CACA.xvg 291669 08-01-2018 11:00 methanol/tables/1.NPT.210_CACA.xvg 291488 08-01-2018 11:00 methanol/tables/1.NPT.225_CACA.xvg 291567 08-01-2018 11:00 methanol/tables/1.NPT.250_CACA.xvg 291556 08-01-2018 11:00 methanol/tables/1.NPT.275_CACA.xvg 291605 08-01-2018 11:00 methanol/tables/1.NPT.290_CACA.xvg 291635 08-01-2018 11:00 methanol/tables/1.NPT.300_CACA.xvg 292016 08-01-2018 11:00 methanol/tables/1.NVT.200_CACA.xvg 291892 08-01-2018 11:00 methanol/tables/1.NVT.225_CACA.xvg 291708 08-01-2018 11:00 methanol/tables/1.NVT.250_CACA.xvg 291620 08-01-2018 11:00 methanol/tables/1.NVT.275_CACA.xvg 291547 08-01-2018 11:00 methanol/tables/1.NVT.300_CACA.xvg 291990 08-01-2018 11:00 methanol/tables/2.NPT.200_CHCH.xvg 292079 08-01-2018 11:00 methanol/tables/2.NPT.200_CTCH.xvg 291200 08-01-2018 11:00 methanol/tables/2.NPT.200_CTCT.xvg 33340 08-01-2018 11:00 methanol/tables/2.NPT.200_bond.xvg 291421 08-01-2018 11:00 methanol/tables/2.NPT.225_CHCH.xvg 292144 08-01-2018 11:00 methanol/tables/2.NPT.225_CTCH.xvg 291427 08-01-2018 11:00 methanol/tables/2.NPT.225_CTCT.xvg 33340 08-01-2018 11:00 methanol/tables/2.NPT.225_bond.xvg 291525 08-01-2018 11:00 methanol/tables/2.NPT.250_CHCH.xvg 292143 08-01-2018 11:00 methanol/tables/2.NPT.250_CTCH.xvg 291236 08-01-2018 11:00 methanol/tables/2.NPT.250_CTCT.xvg 33340 08-01-2018 11:00 methanol/tables/2.NPT.250_bond.xvg 291424 08-01-2018 11:00 methanol/tables/2.NPT.275_CHCH.xvg 292138 08-01-2018 11:00 methanol/tables/2.NPT.275_CTCH.xvg 291187 08-01-2018 11:00 methanol/tables/2.NPT.275_CTCT.xvg 33340 08-01-2018 11:00 methanol/tables/2.NPT.275_bond.xvg 291263 08-01-2018 11:00 methanol/tables/2.NPT.300_CHCH.xvg 292143 08-01-2018 11:00 methanol/tables/2.NPT.300_CTCH.xvg 291218 08-01-2018 11:00 methanol/tables/2.NPT.300_CTCT.xvg 33340 08-01-2018 11:00 methanol/tables/2.NPT.300_bond.xvg 291200 08-01-2018 11:00 methanol/tables/2.NVT.200_CHCH.xvg 292072 08-01-2018 11:00 methanol/tables/2.NVT.200_CTCH.xvg 291903 08-01-2018 11:00 methanol/tables/2.NVT.200_CTCT.xvg 33340 08-01-2018 11:00 methanol/tables/2.NVT.200_bond.xvg 291517 08-01-2018 11:00 methanol/tables/2.NVT.225_CHCH.xvg 292146 08-01-2018 11:00 methanol/tables/2.NVT.225_CTCH.xvg 291206 08-01-2018 11:00 methanol/tables/2.NVT.225_CTCT.xvg 33340 08-01-2018 11:00 methanol/tables/2.NVT.225_bond.xvg 291376 08-01-2018 11:00 methanol/tables/2.NVT.250_CHCH.xvg 292145 08-01-2018 11:00 methanol/tables/2.NVT.250_CTCH.xvg 291261 08-01-2018 11:00 methanol/tables/2.NVT.250_CTCT.xvg 33340 08-01-2018 11:00 methanol/tables/2.NVT.250_bond.xvg 291388 08-01-2018 11:00 methanol/tables/2.NVT.275_CHCH.xvg 292123 08-01-2018 11:00 methanol/tables/2.NVT.275_CTCH.xvg 291326 08-01-2018 11:00 methanol/tables/2.NVT.275_CTCT.xvg 33340 08-01-2018 11:00 methanol/tables/2.NVT.275_bond.xvg 291269 08-01-2018 11:00 methanol/tables/2.NVT.300_CHCH.xvg 292142 08-01-2018 11:00 methanol/tables/2.NVT.300_CTCH.xvg 291192 08-01-2018 11:00 methanol/tables/2.NVT.300_CTCT.xvg 33340 08-01-2018 11:00 methanol/tables/2.NVT.300_bond.xvg 99585 08-01-2018 11:00 methanol/tables/2v3body_1.NPT.png 240543 08-01-2018 11:00 methanol/tables/2v3body_1.NPT.xvg 108677 08-01-2018 11:00 methanol/tables/2v3body_1.NVT.png 241370 08-01-2018 11:00 methanol/tables/2v3body_1.NVT.xvg 95765 08-01-2018 11:00 methanol/tables/2v3body_2.NPT.CHCH.png 247460 08-01-2018 11:00 methanol/tables/2v3body_2.NPT.CHCH.xvg 104267 08-01-2018 11:00 methanol/tables/2v3body_2.NPT.CTCH.png 245189 08-01-2018 11:00 methanol/tables/2v3body_2.NPT.CTCH.xvg 105959 08-01-2018 11:00 methanol/tables/2v3body_2.NPT.CTCT.png 235905 08-01-2018 11:00 methanol/tables/2v3body_2.NPT.CTCT.xvg 88963 08-01-2018 11:00 methanol/tables/2v3body_2.NVT.CHCH.noUr.png 247011 08-01-2018 11:00 methanol/tables/2v3body_2.NVT.CHCH.noUr.xvg 100408 08-01-2018 11:00 methanol/tables/2v3body_2.NVT.CHCH.png 247016 08-01-2018 11:00 methanol/tables/2v3body_2.NVT.CHCH.xvg 100166 08-01-2018 11:00 methanol/tables/2v3body_2.NVT.CTCH.png 245873 08-01-2018 11:00 methanol/tables/2v3body_2.NVT.CTCH.xvg 107113 08-01-2018 11:00 methanol/tables/2v3body_2.NVT.CTCT.png 236373 08-01-2018 11:00 methanol/tables/2v3body_2.NVT.CTCT.xvg 63608 08-01-2018 11:00 methanol/tables/MOH.1.NVT_dUdT.png 170312 08-01-2018 11:00 methanol/tables/MOH.1.NVT_dUdT.xvg 69354 08-01-2018 11:00 methanol/tables/MOH.1.Urho.png 225813 08-01-2018 11:00 methanol/tables/MOH.1.Urho.xvg 82195 08-01-2018 11:00 methanol/tables/MOH.1.dUdrho.png 228017 08-01-2018 11:00 methanol/tables/MOH.1.dUdrho.xvg 73549 08-01-2018 11:00 methanol/tables/MOH.2.CHCH.dUdrho.png 227425 08-01-2018 11:00 methanol/tables/MOH.2.CHCH.dUdrho.xvg 70897 08-01-2018 11:00 methanol/tables/MOH.2.CTCH.dUdrho.png 226500 08-01-2018 11:00 methanol/tables/MOH.2.CTCH.dUdrho.xvg 70631 08-01-2018 11:00 methanol/tables/MOH.2.CTCT.dUdrho.png 225885 08-01-2018 11:00 methanol/tables/MOH.2.CTCT.dUdrho.xvg 67680 08-01-2018 11:00 methanol/tables/MOH.2.NVT.CHCH_dUdT.png 171461 08-01-2018 11:00 methanol/tables/MOH.2.NVT.CHCH_dUdT.xvg 65549 08-01-2018 11:00 methanol/tables/MOH.2.NVT.CTCH_dUdT.png 170687 08-01-2018 11:00 methanol/tables/MOH.2.NVT.CTCH_dUdT.xvg 63965 08-01-2018 11:00 methanol/tables/MOH.2.NVT.CTCT_dUdT.png 170035 08-01-2018 11:00 methanol/tables/MOH.2.NVT.CTCT_dUdT.xvg 67667 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.1.NPT.png 161261 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.1.NPT.xvg 75831 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.1.NVT.png 161535 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.1.NVT.xvg 69324 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NPT.CHCH.png 161251 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NPT.CHCH.xvg 65026 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NPT.CTCH.png 161761 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NPT.CTCH.xvg 95024 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NPT.CTCT.png 159838 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NPT.CTCT.xvg 75786 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NVT.CHCH.png 160643 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NVT.CHCH.xvg 71242 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NVT.CTCH.png 161665 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NVT.CTCH.xvg 86382 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NVT.CTCT.png 160217 08-01-2018 11:00 methanol/tables/comp_nb_potentials_MOH.2.NVT.CTCT.xvg 248805 08-01-2018 11:00 methanol/tables/direct_v_indirect_1.NVT.CA-CA.agr 75700 08-01-2018 11:00 methanol/tables/direct_v_indirect_1.NVT.CA-CA.png 255849 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CH-CH.agr 69907 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CH-CH.png 73215 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CHCH.png 255545 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CHCH.xvg 251234 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CT-CH.agr 70693 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CT-CH.png 245586 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CT-CT.agr 72145 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CT-CT.png 67057 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CTCH.png 254404 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CTCH.xvg 71187 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CTCT.png 244911 08-01-2018 11:00 methanol/tables/direct_v_indirect_2.NVT.CTCT.xvg 75310 08-01-2018 11:00 methanol/tables/direct_v_indirect_panels_1.NVT.png 249907 08-01-2018 11:00 methanol/tables/direct_v_indirect_panels_1.NVT.xvg 167892 08-01-2018 11:00 methanol/tables/force_regime_comp_MOH.1.NVT.agr 76658 08-01-2018 11:00 methanol/tables/force_regime_comp_MOH.1.NVT.png 4152 08-01-2018 11:00 methanol/tables/gen_force_plots.bat 2781 08-01-2018 11:00 methanol/tables/gen_plot.bat --------- ------- 2118293916 180 files