===================================================== Content of ZIP archive acetic-acid-01.zip ===================================================== Archive: acetic-acid-01.zip Length Date Time Name --------- ---------- ----- ---- 0 04-15-2022 12:04 acetic-acid/ 242718 04-28-2020 03:35 acetic-acid/ACOH.gro 1606 04-28-2020 03:35 acetic-acid/ACOH.itp 105 04-28-2020 03:20 acetic-acid/ACOH.top 434 04-28-2020 03:35 acetic-acid/ACOH1.gro 1478 10-05-2020 11:26 acetic-acid/ACOH_1c.gro 460863 10-05-2020 11:27 acetic-acid/ACOH_crystal.gro 2639 04-28-2020 03:35 acetic-acid/ACOH_gen.mdp 0 04-15-2022 12:04 acetic-acid/CG_SIM/ 0 04-15-2022 12:04 acetic-acid/CG_SIM/050_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/050_GRAD/bulk/ 0 06-24-2021 20:13 acetic-acid/CG_SIM/050_GRAD/bulk/ACA_bulk_050_gr.o28851529 433 06-25-2021 16:17 acetic-acid/CG_SIM/050_GRAD/bulk/PRhocurve.bw.0.0001.dat 845 06-25-2021 15:58 acetic-acid/CG_SIM/050_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 03:00 acetic-acid/CG_SIM/050_GRAD/bulk/acoh.bulk.data 1728 06-24-2021 10:45 acetic-acid/CG_SIM/050_GRAD/bulk/acoh.bulk.lmp 5431856843 06-25-2021 04:26 acetic-acid/CG_SIM/050_GRAD/bulk/dump.txt 4247521 06-25-2021 04:26 acetic-acid/CG_SIM/050_GRAD/bulk/log.lammps 763 06-25-2021 16:17 acetic-acid/CG_SIM/050_GRAD/bulk/new_EoS_and_fit.dat 4249764 06-25-2021 04:26 acetic-acid/CG_SIM/050_GRAD/bulk/out.dat 1037977 06-25-2021 04:26 acetic-acid/CG_SIM/050_GRAD/bulk/press.dat 828372 06-25-2021 16:17 acetic-acid/CG_SIM/050_GRAD/bulk/prho_eos.dat 828372 06-25-2021 15:58 acetic-acid/CG_SIM/050_GRAD/bulk/prho_eos_wrong.dat 1411482 06-25-2021 16:17 acetic-acid/CG_SIM/050_GRAD/bulk/pv_eos.dat 1411482 06-25-2021 15:58 acetic-acid/CG_SIM/050_GRAD/bulk/pv_eos_wrong.dat 92892 06-25-2021 04:24 acetic-acid/CG_SIM/050_GRAD/bulk/state1.restart 92892 06-25-2021 04:26 acetic-acid/CG_SIM/050_GRAD/bulk/state2.restart 1017648 06-25-2021 04:26 acetic-acid/CG_SIM/050_GRAD/bulk/temp.dat 1017598 06-25-2021 04:26 acetic-acid/CG_SIM/050_GRAD/bulk/vol.dat 19414 04-28-2020 03:00 acetic-acid/CG_SIM/050_GRAD/fgrad.dat 90493 04-28-2020 02:59 acetic-acid/CG_SIM/050_GRAD/fgrad_extrap.dat 19414 04-28-2020 02:59 acetic-acid/CG_SIM/050_GRAD/fld.dat 75092 04-28-2020 03:00 acetic-acid/CG_SIM/050_GRAD/fld_extrap.dat 11872 04-28-2020 02:59 acetic-acid/CG_SIM/050_GRAD/fld_new.dat 38454 04-28-2020 02:59 acetic-acid/CG_SIM/050_GRAD/fpair.dat 17624 04-28-2020 02:59 acetic-acid/CG_SIM/050_GRAD/fpair_new.dat 17486 04-28-2020 03:00 acetic-acid/CG_SIM/050_GRAD/fpair_trim.dat 118107 06-24-2021 11:10 acetic-acid/CG_SIM/050_GRAD/gradtable.1.1.dat 113184 06-24-2021 11:01 acetic-acid/CG_SIM/050_GRAD/gradtable.1.1.old.dat 172859 04-28-2020 03:00 acetic-acid/CG_SIM/050_GRAD/gradtable.xvg 98314 04-28-2020 02:59 acetic-acid/CG_SIM/050_GRAD/lammps_nb_ACA_ACA.table 17017 04-28-2020 02:59 acetic-acid/CG_SIM/050_GRAD/lucy.dat 16910 04-28-2020 02:59 acetic-acid/CG_SIM/050_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/050_GRAD/slab/ 40829 04-28-2020 02:59 acetic-acid/CG_SIM/050_GRAD/slab/acoh.slab.data 1736 04-28-2020 02:59 acetic-acid/CG_SIM/050_GRAD/slab/acoh.slab.lmp 123154 06-24-2021 11:38 acetic-acid/CG_SIM/050_GRAD/table.1.1.dat 0 06-24-2021 11:06 acetic-acid/CG_SIM/050_GRAD/table.1.1.old.dat 244041 04-28-2020 03:00 acetic-acid/CG_SIM/050_GRAD/table_ACA_ACA.xvg 193821 06-24-2021 11:37 acetic-acid/CG_SIM/050_GRAD/table_ld.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/050_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/050_LD/bulk/ 405 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/acoh.bulk.data 1652 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/acoh.bulk.lmp 3340942 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/copy.dat 3439008012 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/dump.txt 4247438 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/log.lammps 4250082 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/bulk/out.dat 1038160 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/press.dat 829084 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/prho_eos.dat 1411607 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/bulk/pv_eos.dat 92875 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/state1.restart 92875 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/state2.restart 1017642 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/temp.dat 1017540 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/bulk/vol.dat 19414 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/fld.dat 74975 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/fld_extrap.dat 11764 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/fld_new.dat 38454 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/fpair.dat 17661 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/fpair_new.dat 17523 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/fpair_trim.dat 98320 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/lammps_nb_ACA_ACA.table 17017 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/lucy.dat 16910 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/050_LD/slab/ 40829 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/slab/acoh.slab.data 1737 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/slab/acoh.slab.lmp 161295 04-28-2020 02:49 acetic-acid/CG_SIM/050_LD/table.1.1.dat 244074 04-28-2020 02:51 acetic-acid/CG_SIM/050_LD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/055_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/055_GRAD/bulk/ 0 06-23-2021 23:37 acetic-acid/CG_SIM/055_GRAD/bulk/ACA_bulk_055_gr.o28827237 0 06-24-2021 10:35 acetic-acid/CG_SIM/055_GRAD/bulk/ACA_bulk_055_gr.o28847309 0 06-24-2021 10:56 acetic-acid/CG_SIM/055_GRAD/bulk/ACA_bulk_055_gr.o28848321 0 06-24-2021 11:14 acetic-acid/CG_SIM/055_GRAD/bulk/ACA_bulk_055_gr.o28849667 383 06-25-2021 16:17 acetic-acid/CG_SIM/055_GRAD/bulk/PRhocurve.bw.0.0001.dat 727 06-25-2021 15:58 acetic-acid/CG_SIM/055_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 02:58 acetic-acid/CG_SIM/055_GRAD/bulk/acoh.bulk.data 1728 06-24-2021 10:45 acetic-acid/CG_SIM/055_GRAD/bulk/acoh.bulk.lmp --------- ------- 8907405892 90 files ===================================================== Content of ZIP archive acetic-acid-02.zip ===================================================== Archive: acetic-acid-02.zip Length Date Time Name --------- ---------- ----- ---- 5443128869 06-24-2021 20:23 acetic-acid/CG_SIM/055_GRAD/bulk/dump.txt 4247519 06-24-2021 20:23 acetic-acid/CG_SIM/055_GRAD/bulk/log.lammps 686 06-25-2021 16:17 acetic-acid/CG_SIM/055_GRAD/bulk/new_EoS_and_fit.dat 4249770 06-24-2021 20:23 acetic-acid/CG_SIM/055_GRAD/bulk/out.dat 1038061 06-24-2021 20:23 acetic-acid/CG_SIM/055_GRAD/bulk/press.dat 830266 06-25-2021 16:17 acetic-acid/CG_SIM/055_GRAD/bulk/prho_eos.dat 830266 06-25-2021 15:58 acetic-acid/CG_SIM/055_GRAD/bulk/prho_eos_wrong.dat 1411502 06-25-2021 16:17 acetic-acid/CG_SIM/055_GRAD/bulk/pv_eos.dat 1411502 06-25-2021 15:58 acetic-acid/CG_SIM/055_GRAD/bulk/pv_eos_wrong.dat 92892 06-24-2021 20:20 acetic-acid/CG_SIM/055_GRAD/bulk/state1.restart 92892 06-24-2021 20:23 acetic-acid/CG_SIM/055_GRAD/bulk/state2.restart 1017434 06-24-2021 20:23 acetic-acid/CG_SIM/055_GRAD/bulk/temp.dat 1017534 06-24-2021 20:23 acetic-acid/CG_SIM/055_GRAD/bulk/vol.dat 25874 04-28-2020 02:59 acetic-acid/CG_SIM/055_GRAD/fgrad.dat 89870 04-28-2020 02:57 acetic-acid/CG_SIM/055_GRAD/fgrad_extrap.dat 25874 04-28-2020 02:57 acetic-acid/CG_SIM/055_GRAD/fld.dat 74873 04-28-2020 02:59 acetic-acid/CG_SIM/055_GRAD/fld_extrap.dat 15831 04-28-2020 02:57 acetic-acid/CG_SIM/055_GRAD/fld_new.dat 38454 04-28-2020 02:57 acetic-acid/CG_SIM/055_GRAD/fpair.dat 17708 04-28-2020 02:57 acetic-acid/CG_SIM/055_GRAD/fpair_new.dat 17570 04-28-2020 02:59 acetic-acid/CG_SIM/055_GRAD/fpair_trim.dat 118109 06-24-2021 11:10 acetic-acid/CG_SIM/055_GRAD/gradtable.1.1.dat 114444 06-24-2021 11:01 acetic-acid/CG_SIM/055_GRAD/gradtable.1.1.old.dat 171574 04-28-2020 02:59 acetic-acid/CG_SIM/055_GRAD/gradtable.xvg 98407 04-28-2020 02:57 acetic-acid/CG_SIM/055_GRAD/lammps_nb_ACA_ACA.table 17381 04-28-2020 02:57 acetic-acid/CG_SIM/055_GRAD/lucy.dat 17334 04-28-2020 02:57 acetic-acid/CG_SIM/055_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/055_GRAD/slab/ 40829 04-28-2020 02:57 acetic-acid/CG_SIM/055_GRAD/slab/acoh.slab.data 1736 04-28-2020 02:57 acetic-acid/CG_SIM/055_GRAD/slab/acoh.slab.lmp 159080 06-24-2021 11:10 acetic-acid/CG_SIM/055_GRAD/table.1.1.dat 160636 06-24-2021 11:01 acetic-acid/CG_SIM/055_GRAD/table.1.1.old.dat 244205 04-28-2020 02:59 acetic-acid/CG_SIM/055_GRAD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/055_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/055_LD/bulk/ 361 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/acoh.bulk.data 1652 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/acoh.bulk.lmp 1240822 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/copy.dat 3438944393 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/dump.txt 4247445 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/log.lammps 4250063 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/bulk/out.dat 1038083 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/press.dat 830704 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/prho_eos.dat 1411715 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/bulk/pv_eos.dat 17622 01-25-2021 13:25 acetic-acid/CG_SIM/055_LD/bulk/rdf.dat 92875 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/state1.restart 92875 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/state2.restart 1017590 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/temp.dat 1017725 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/bulk/vol.dat 25874 04-28-2020 02:51 acetic-acid/CG_SIM/055_LD/fld.dat 74777 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/fld_extrap.dat 15652 04-28-2020 02:51 acetic-acid/CG_SIM/055_LD/fld_new.dat 38454 04-28-2020 02:51 acetic-acid/CG_SIM/055_LD/fpair.dat 17653 04-28-2020 02:51 acetic-acid/CG_SIM/055_LD/fpair_new.dat 17515 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/fpair_trim.dat 98277 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/lammps_nb_ACA_ACA.table 17381 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/lucy.dat 17334 04-28-2020 02:51 acetic-acid/CG_SIM/055_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/055_LD/slab/ 40829 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/slab/acoh.slab.data 1737 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/slab/acoh.slab.lmp --------- ------- 8915407887 62 files ===================================================== Content of ZIP archive acetic-acid-03.zip ===================================================== Archive: acetic-acid-03.zip Length Date Time Name --------- ---------- ----- ---- 2594784868 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/slab/cg.trr 6600 04-28-2020 02:53 acetic-acid/CG_SIM/055_LD/slab/density.dat 7374 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/slab/density.xvg --------- ------- 2594798842 3 files ===================================================== Content of ZIP archive acetic-acid-04.zip ===================================================== Archive: acetic-acid-04.zip Length Date Time Name --------- ---------- ----- ---- 6901680116 04-28-2020 02:53 acetic-acid/CG_SIM/055_LD/slab/dump.txt 4247523 04-28-2020 02:53 acetic-acid/CG_SIM/055_LD/slab/log.lammps 4266170 04-28-2020 02:51 acetic-acid/CG_SIM/055_LD/slab/out.dat 1049629 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/slab/press.dat 4549733 04-28-2020 02:53 acetic-acid/CG_SIM/055_LD/slab/press_tens.dat 184491 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/slab/state1.restart 184491 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/slab/state2.restart 702802 11-30-2021 10:49 acetic-acid/CG_SIM/055_LD/slab/surf_tens.dat 1017734 04-28-2020 02:54 acetic-acid/CG_SIM/055_LD/slab/temp.dat 502050 04-28-2020 02:53 acetic-acid/CG_SIM/055_LD/slab/vol.dat 160427 04-28-2020 02:51 acetic-acid/CG_SIM/055_LD/table.1.1.dat 244061 04-28-2020 02:55 acetic-acid/CG_SIM/055_LD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/060_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/060_GRAD/bulk/ 0 06-23-2021 23:37 acetic-acid/CG_SIM/060_GRAD/bulk/ACA_bulk_060_gr.o28827243 0 06-24-2021 10:39 acetic-acid/CG_SIM/060_GRAD/bulk/ACA_bulk_060_gr.o28847310 0 06-24-2021 10:59 acetic-acid/CG_SIM/060_GRAD/bulk/ACA_bulk_060_gr.o28848323 0 06-24-2021 11:16 acetic-acid/CG_SIM/060_GRAD/bulk/ACA_bulk_060_gr.o28849669 325 06-25-2021 16:17 acetic-acid/CG_SIM/060_GRAD/bulk/PRhocurve.bw.0.0001.dat 590 06-25-2021 15:58 acetic-acid/CG_SIM/060_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 02:26 acetic-acid/CG_SIM/060_GRAD/bulk/acoh.bulk.data 1728 06-24-2021 10:45 acetic-acid/CG_SIM/060_GRAD/bulk/acoh.bulk.lmp --------- ------- 6918811367 22 files ===================================================== Content of ZIP archive acetic-acid-05.zip ===================================================== Archive: acetic-acid-05.zip Length Date Time Name --------- ---------- ----- ---- 5440567689 06-24-2021 20:09 acetic-acid/CG_SIM/060_GRAD/bulk/dump.txt 4247517 06-24-2021 20:09 acetic-acid/CG_SIM/060_GRAD/bulk/log.lammps 613 06-25-2021 16:17 acetic-acid/CG_SIM/060_GRAD/bulk/new_EoS_and_fit.dat 4247310 06-24-2021 20:09 acetic-acid/CG_SIM/060_GRAD/bulk/out.dat 1038214 06-24-2021 20:09 acetic-acid/CG_SIM/060_GRAD/bulk/press.dat 832613 06-25-2021 16:17 acetic-acid/CG_SIM/060_GRAD/bulk/prho_eos.dat 832613 06-25-2021 15:58 acetic-acid/CG_SIM/060_GRAD/bulk/prho_eos_wrong.dat 1411643 06-25-2021 16:17 acetic-acid/CG_SIM/060_GRAD/bulk/pv_eos.dat 1411643 06-25-2021 15:58 acetic-acid/CG_SIM/060_GRAD/bulk/pv_eos_wrong.dat 92892 06-24-2021 20:07 acetic-acid/CG_SIM/060_GRAD/bulk/state1.restart 92892 06-24-2021 20:09 acetic-acid/CG_SIM/060_GRAD/bulk/state2.restart 1017604 06-24-2021 20:09 acetic-acid/CG_SIM/060_GRAD/bulk/temp.dat 1017522 06-24-2021 20:09 acetic-acid/CG_SIM/060_GRAD/bulk/vol.dat 30294 04-28-2020 02:26 acetic-acid/CG_SIM/060_GRAD/fgrad.dat 91781 04-28-2020 02:25 acetic-acid/CG_SIM/060_GRAD/fgrad_extrap.dat 30294 04-28-2020 02:25 acetic-acid/CG_SIM/060_GRAD/fld.dat 74664 04-28-2020 02:26 acetic-acid/CG_SIM/060_GRAD/fld_extrap.dat 18384 04-28-2020 02:25 acetic-acid/CG_SIM/060_GRAD/fld_new.dat 38454 04-28-2020 02:25 acetic-acid/CG_SIM/060_GRAD/fpair.dat 17802 04-28-2020 02:25 acetic-acid/CG_SIM/060_GRAD/fpair_new.dat 17664 04-28-2020 02:26 acetic-acid/CG_SIM/060_GRAD/fpair_trim.dat 116101 06-24-2021 11:10 acetic-acid/CG_SIM/060_GRAD/gradtable.1.1.dat 111117 06-24-2021 11:01 acetic-acid/CG_SIM/060_GRAD/gradtable.1.1.old.dat 170293 04-28-2020 02:26 acetic-acid/CG_SIM/060_GRAD/gradtable.xvg 98536 04-28-2020 02:25 acetic-acid/CG_SIM/060_GRAD/lammps_nb_ACA_ACA.table 17748 04-28-2020 02:25 acetic-acid/CG_SIM/060_GRAD/lucy.dat 17638 04-28-2020 02:25 acetic-acid/CG_SIM/060_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/060_GRAD/slab/ 40829 04-28-2020 02:25 acetic-acid/CG_SIM/060_GRAD/slab/acoh.slab.data 1736 04-28-2020 02:25 acetic-acid/CG_SIM/060_GRAD/slab/acoh.slab.lmp 160281 06-24-2021 11:10 acetic-acid/CG_SIM/060_GRAD/table.1.1.dat 161587 06-24-2021 11:01 acetic-acid/CG_SIM/060_GRAD/table.1.1.old.dat 244348 04-28-2020 02:26 acetic-acid/CG_SIM/060_GRAD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/060_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/060_LD/bulk/ 293 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/bulk/acoh.bulk.data 1652 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/bulk/acoh.bulk.lmp 3439405797 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/bulk/dump.txt 4247443 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/bulk/log.lammps 4250061 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/bulk/out.dat 1037925 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/bulk/press.dat 832044 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/bulk/prho_eos.dat 1411407 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/bulk/pv_eos.dat 92875 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/bulk/state1.restart 92875 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/bulk/state2.restart 1017639 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/bulk/temp.dat 1017575 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/bulk/vol.dat 30294 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/fld.dat 74640 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/fld_extrap.dat 18376 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/fld_new.dat 38454 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/fpair.dat 17659 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/fpair_new.dat 17522 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/fpair_trim.dat 98278 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/lammps_nb_ACA_ACA.table 17748 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/lucy.dat 17638 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/060_LD/slab/ 40829 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/slab/acoh.slab.data 1737 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/slab/acoh.slab.lmp 164021 04-28-2020 03:19 acetic-acid/CG_SIM/060_LD/table.1.1.dat 244054 04-28-2020 03:20 acetic-acid/CG_SIM/060_LD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/065_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/065_GRAD/bulk/ 0 06-23-2021 23:37 acetic-acid/CG_SIM/065_GRAD/bulk/ACA_bulk_065_gr.o28827248 0 06-24-2021 10:39 acetic-acid/CG_SIM/065_GRAD/bulk/ACA_bulk_065_gr.o28847311 0 06-24-2021 10:59 acetic-acid/CG_SIM/065_GRAD/bulk/ACA_bulk_065_gr.o28848324 0 06-24-2021 11:16 acetic-acid/CG_SIM/065_GRAD/bulk/ACA_bulk_065_gr.o28849670 287 06-25-2021 16:17 acetic-acid/CG_SIM/065_GRAD/bulk/PRhocurve.bw.0.0001.dat 580 06-25-2021 15:58 acetic-acid/CG_SIM/065_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 02:25 acetic-acid/CG_SIM/065_GRAD/bulk/acoh.bulk.data 1728 06-24-2021 10:45 acetic-acid/CG_SIM/065_GRAD/bulk/acoh.bulk.lmp --------- ------- 8912500741 72 files ===================================================== Content of ZIP archive acetic-acid-06.zip ===================================================== Archive: acetic-acid-06.zip Length Date Time Name --------- ---------- ----- ---- 5444487414 06-24-2021 20:24 acetic-acid/CG_SIM/065_GRAD/bulk/dump.txt 4247518 06-24-2021 20:24 acetic-acid/CG_SIM/065_GRAD/bulk/log.lammps 557 06-25-2021 16:17 acetic-acid/CG_SIM/065_GRAD/bulk/new_EoS_and_fit.dat 4249769 06-24-2021 20:24 acetic-acid/CG_SIM/065_GRAD/bulk/out.dat 1037937 06-24-2021 20:24 acetic-acid/CG_SIM/065_GRAD/bulk/press.dat 833641 06-25-2021 16:17 acetic-acid/CG_SIM/065_GRAD/bulk/prho_eos.dat 833641 06-25-2021 15:58 acetic-acid/CG_SIM/065_GRAD/bulk/prho_eos_wrong.dat 1411404 06-25-2021 16:17 acetic-acid/CG_SIM/065_GRAD/bulk/pv_eos.dat 1411404 06-25-2021 15:58 acetic-acid/CG_SIM/065_GRAD/bulk/pv_eos_wrong.dat 92892 06-24-2021 20:21 acetic-acid/CG_SIM/065_GRAD/bulk/state1.restart 92892 06-24-2021 20:24 acetic-acid/CG_SIM/065_GRAD/bulk/state2.restart 1017507 06-24-2021 20:24 acetic-acid/CG_SIM/065_GRAD/bulk/temp.dat 1017560 06-24-2021 20:24 acetic-acid/CG_SIM/065_GRAD/bulk/vol.dat 34034 04-28-2020 02:25 acetic-acid/CG_SIM/065_GRAD/fgrad.dat 91593 04-28-2020 02:23 acetic-acid/CG_SIM/065_GRAD/fgrad_extrap.dat 34034 04-28-2020 02:23 acetic-acid/CG_SIM/065_GRAD/fld.dat 74387 04-28-2020 02:25 acetic-acid/CG_SIM/065_GRAD/fld_extrap.dat 20348 04-28-2020 02:23 acetic-acid/CG_SIM/065_GRAD/fld_new.dat 38454 04-28-2020 02:23 acetic-acid/CG_SIM/065_GRAD/fpair.dat 17926 04-28-2020 02:23 acetic-acid/CG_SIM/065_GRAD/fpair_new.dat 17793 04-28-2020 02:25 acetic-acid/CG_SIM/065_GRAD/fpair_trim.dat 113532 06-24-2021 11:10 acetic-acid/CG_SIM/065_GRAD/gradtable.1.1.dat 109310 06-24-2021 11:01 acetic-acid/CG_SIM/065_GRAD/gradtable.1.1.old.dat 166982 04-28-2020 02:25 acetic-acid/CG_SIM/065_GRAD/gradtable.xvg 98599 04-28-2020 02:23 acetic-acid/CG_SIM/065_GRAD/lammps_nb_ACA_ACA.table 18145 04-28-2020 02:23 acetic-acid/CG_SIM/065_GRAD/lucy.dat 18079 04-28-2020 02:23 acetic-acid/CG_SIM/065_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/065_GRAD/slab/ 40829 04-28-2020 02:23 acetic-acid/CG_SIM/065_GRAD/slab/acoh.slab.data 1736 04-28-2020 02:23 acetic-acid/CG_SIM/065_GRAD/slab/acoh.slab.lmp 161021 06-24-2021 11:10 acetic-acid/CG_SIM/065_GRAD/table.1.1.dat 162152 06-24-2021 11:01 acetic-acid/CG_SIM/065_GRAD/table.1.1.old.dat 244384 04-28-2020 02:25 acetic-acid/CG_SIM/065_GRAD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/065_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/065_LD/bulk/ 324 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/bulk/acoh.bulk.data 1652 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/bulk/acoh.bulk.lmp 3439738734 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/bulk/dump.txt 4247442 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/bulk/log.lammps 4250086 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/bulk/out.dat 1037830 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/bulk/press.dat 832686 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/bulk/prho_eos.dat 1411214 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/bulk/pv_eos.dat 92875 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/bulk/state1.restart 92875 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/bulk/state2.restart 1017603 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/bulk/temp.dat 1017477 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/bulk/vol.dat 34034 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/fld.dat 74560 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/fld_extrap.dat 20526 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/fld_new.dat 38454 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/fpair.dat 17686 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/fpair_new.dat 17548 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/fpair_trim.dat 98248 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/lammps_nb_ACA_ACA.table 18145 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/lucy.dat 18079 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/065_LD/slab/ 40829 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/slab/acoh.slab.data 1737 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/slab/acoh.slab.lmp 161513 04-28-2020 03:06 acetic-acid/CG_SIM/065_LD/table.1.1.dat 244026 04-28-2020 03:08 acetic-acid/CG_SIM/065_LD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/070_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/070_GRAD/bulk/ 17698 06-25-2021 17:07 acetic-acid/CG_SIM/070_GRAD/bulk/BocsRDF_System_System_total.dat 257 06-25-2021 16:17 acetic-acid/CG_SIM/070_GRAD/bulk/PRhocurve.bw.0.0001.dat 517 06-25-2021 15:58 acetic-acid/CG_SIM/070_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 02:44 acetic-acid/CG_SIM/070_GRAD/bulk/acoh.bulk.data 1728 06-24-2021 10:45 acetic-acid/CG_SIM/070_GRAD/bulk/acoh.bulk.lmp --------- ------- 8916782851 69 files ===================================================== Content of ZIP archive acetic-acid-07.zip ===================================================== Archive: acetic-acid-07.zip Length Date Time Name --------- ---------- ----- ---- 5450679690 06-24-2021 20:41 acetic-acid/CG_SIM/070_GRAD/bulk/dump.txt 4247520 06-24-2021 20:41 acetic-acid/CG_SIM/070_GRAD/bulk/log.lammps 507 06-25-2021 16:17 acetic-acid/CG_SIM/070_GRAD/bulk/new_EoS_and_fit.dat 4249784 06-24-2021 20:41 acetic-acid/CG_SIM/070_GRAD/bulk/out.dat 1038222 06-24-2021 20:41 acetic-acid/CG_SIM/070_GRAD/bulk/press.dat 834639 06-25-2021 16:17 acetic-acid/CG_SIM/070_GRAD/bulk/prho_eos.dat 834639 06-25-2021 15:58 acetic-acid/CG_SIM/070_GRAD/bulk/prho_eos_wrong.dat 1411610 06-25-2021 16:17 acetic-acid/CG_SIM/070_GRAD/bulk/pv_eos.dat 1411610 06-25-2021 15:58 acetic-acid/CG_SIM/070_GRAD/bulk/pv_eos_wrong.dat 13058 06-25-2021 17:09 acetic-acid/CG_SIM/070_GRAD/bulk/rdf.dat 17645 01-25-2021 13:38 acetic-acid/CG_SIM/070_GRAD/bulk/rdf_old_wrong.dat 92892 06-24-2021 20:39 acetic-acid/CG_SIM/070_GRAD/bulk/state1.restart 92892 06-24-2021 20:41 acetic-acid/CG_SIM/070_GRAD/bulk/state2.restart 1017588 06-24-2021 20:41 acetic-acid/CG_SIM/070_GRAD/bulk/temp.dat 1017481 06-24-2021 20:41 acetic-acid/CG_SIM/070_GRAD/bulk/vol.dat 37094 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/fgrad.dat 92468 04-28-2020 02:42 acetic-acid/CG_SIM/070_GRAD/fgrad_extrap.dat 37094 04-28-2020 02:38 acetic-acid/CG_SIM/070_GRAD/fld.dat 74403 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/fld_extrap.dat 22146 04-28-2020 02:38 acetic-acid/CG_SIM/070_GRAD/fld_new.dat 38454 04-28-2020 02:38 acetic-acid/CG_SIM/070_GRAD/fpair.dat 17937 04-28-2020 02:38 acetic-acid/CG_SIM/070_GRAD/fpair_new.dat 17801 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/fpair_trim.dat 109848 06-24-2021 11:10 acetic-acid/CG_SIM/070_GRAD/gradtable.1.1.dat 104900 06-24-2021 11:01 acetic-acid/CG_SIM/070_GRAD/gradtable.1.1.old.dat 165840 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/gradtable.xvg 98671 04-28-2020 02:42 acetic-acid/CG_SIM/070_GRAD/lammps_nb_ACA_ACA.table 18496 04-28-2020 02:42 acetic-acid/CG_SIM/070_GRAD/lucy.dat 18470 04-28-2020 02:38 acetic-acid/CG_SIM/070_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/070_GRAD/slab/ 40829 04-28-2020 02:42 acetic-acid/CG_SIM/070_GRAD/slab/acoh.slab.data 1736 04-28-2020 02:42 acetic-acid/CG_SIM/070_GRAD/slab/acoh.slab.lmp 2594784868 04-28-2020 02:42 acetic-acid/CG_SIM/070_GRAD/slab/cg.trr 2731960 04-28-2020 02:41 acetic-acid/CG_SIM/070_GRAD/slab/copy.dat 6600 04-28-2020 02:41 acetic-acid/CG_SIM/070_GRAD/slab/density.dat 7358 04-28-2020 02:42 acetic-acid/CG_SIM/070_GRAD/slab/density.xvg --------- ------- 8065386750 36 files ===================================================== Content of ZIP archive acetic-acid-08.zip ===================================================== Archive: acetic-acid-08.zip Length Date Time Name --------- ---------- ----- ---- 9011259262 04-28-2020 02:41 acetic-acid/CG_SIM/070_GRAD/slab/dump.txt 4247519 04-28-2020 02:41 acetic-acid/CG_SIM/070_GRAD/slab/log.lammps 4266699 04-28-2020 02:38 acetic-acid/CG_SIM/070_GRAD/slab/out.dat 1052829 04-28-2020 02:42 acetic-acid/CG_SIM/070_GRAD/slab/press.dat 4557627 04-28-2020 02:41 acetic-acid/CG_SIM/070_GRAD/slab/press_tens.dat 184491 04-28-2020 02:42 acetic-acid/CG_SIM/070_GRAD/slab/state1.restart 184491 04-28-2020 02:42 acetic-acid/CG_SIM/070_GRAD/slab/state2.restart 698920 11-30-2021 10:52 acetic-acid/CG_SIM/070_GRAD/slab/surf_tens.dat 1017529 04-28-2020 02:42 acetic-acid/CG_SIM/070_GRAD/slab/temp.dat 502050 04-28-2020 02:41 acetic-acid/CG_SIM/070_GRAD/slab/vol.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/070_GRAD/slab2/ 33900 05-04-2020 12:30 acetic-acid/CG_SIM/070_GRAD/slab2/LDPDF_0_0.dat 40829 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/slab2/acoh.slab.data 1736 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/slab2/acoh.slab.lmp --------- ------- 9028047882 14 files ===================================================== Content of ZIP archive acetic-acid-09.zip ===================================================== Archive: acetic-acid-09.zip Length Date Time Name --------- ---------- ----- ---- 2594784868 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/slab2/cg.trr 6600 04-28-2020 02:47 acetic-acid/CG_SIM/070_GRAD/slab2/density.dat 7372 05-05-2020 10:02 acetic-acid/CG_SIM/070_GRAD/slab2/density.xvg --------- ------- 2594798840 3 files ===================================================== Content of ZIP archive acetic-acid-10.zip ===================================================== Archive: acetic-acid-10.zip Length Date Time Name --------- ---------- ----- ---- 9011259262 04-28-2020 02:47 acetic-acid/CG_SIM/070_GRAD/slab2/dump.txt 4247517 04-28-2020 02:47 acetic-acid/CG_SIM/070_GRAD/slab2/log.lammps 4248140 05-04-2020 12:52 acetic-acid/CG_SIM/070_GRAD/slab2/out.dat 1052829 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/slab2/press.dat 4557627 04-28-2020 02:47 acetic-acid/CG_SIM/070_GRAD/slab2/press_tens.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/ 40829 05-04-2020 13:35 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/acoh.slab.data 1736 05-04-2020 13:35 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/acoh.slab.lmp --------- ------- 9025407940 8 files ===================================================== Content of ZIP archive acetic-acid-11.zip ===================================================== Archive: acetic-acid-11.zip Length Date Time Name --------- ---------- ----- ---- 2594784868 05-05-2020 10:00 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/cg.trr 6600 05-05-2020 10:03 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/density.dat 7362 05-05-2020 10:03 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/density.xvg --------- ------- 2594798830 3 files ===================================================== Content of ZIP archive acetic-acid-12.zip ===================================================== Archive: acetic-acid-12.zip Length Date Time Name --------- ---------- ----- ---- 9011259262 05-05-2020 06:56 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/dump.txt 4247518 05-05-2020 06:56 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/log.lammps 4266573 05-05-2020 06:56 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/out.dat 1052829 05-05-2020 06:56 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/press.dat 4557627 05-05-2020 06:56 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/press_tens.dat 184491 05-05-2020 06:51 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/state1.restart 184491 05-05-2020 06:56 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/state2.restart 698920 11-30-2021 10:53 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/surf_tens.dat 1017529 05-05-2020 06:56 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/temp.dat 502050 05-05-2020 06:56 acetic-acid/CG_SIM/070_GRAD/slab2/redo2/vol.dat 184491 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/slab2/state1.restart 184491 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/slab2/state2.restart 698920 11-30-2021 10:54 acetic-acid/CG_SIM/070_GRAD/slab2/surf_tens.dat 1017529 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/slab2/temp.dat 502050 04-28-2020 02:47 acetic-acid/CG_SIM/070_GRAD/slab2/vol.dat 157275 06-24-2021 11:10 acetic-acid/CG_SIM/070_GRAD/table.1.1.dat 158345 06-24-2021 11:01 acetic-acid/CG_SIM/070_GRAD/table.1.1.old.dat 244433 04-28-2020 02:48 acetic-acid/CG_SIM/070_GRAD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/070_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/070_LD/bulk/ 292 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/bulk/acoh.bulk.data 1652 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/bulk/acoh.bulk.lmp --------- ------- 9031140265 23 files ===================================================== Content of ZIP archive acetic-acid-13.zip ===================================================== Archive: acetic-acid-13.zip Length Date Time Name --------- ---------- ----- ---- 3439910864 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/bulk/dump.txt 4247443 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/bulk/log.lammps 4250087 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/bulk/out.dat 1037661 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/bulk/press.dat 833555 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/bulk/prho_eos.dat 1411265 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/bulk/pv_eos.dat 92875 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/bulk/state1.restart 92875 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/bulk/state2.restart 1017584 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/bulk/temp.dat 1017697 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/bulk/vol.dat 37094 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/fld.dat 74511 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/fld_extrap.dat 22420 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/fld_new.dat 38454 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/fpair.dat 17658 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/fpair_new.dat 17521 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/fpair_trim.dat 98229 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/lammps_nb_ACA_ACA.table 18496 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/lucy.dat 18470 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/070_LD/slab/ 40829 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/slab/acoh.slab.data 1737 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/slab/acoh.slab.lmp 164518 04-28-2020 03:08 acetic-acid/CG_SIM/070_LD/table.1.1.dat 244006 04-28-2020 03:09 acetic-acid/CG_SIM/070_LD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/072_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/072_GRAD/bulk/ 0 06-23-2021 23:37 acetic-acid/CG_SIM/072_GRAD/bulk/ACA_bulk_072_gr.o28827256 0 06-24-2021 10:39 acetic-acid/CG_SIM/072_GRAD/bulk/ACA_bulk_072_gr.o28847313 0 06-24-2021 10:59 acetic-acid/CG_SIM/072_GRAD/bulk/ACA_bulk_072_gr.o28848326 0 06-24-2021 11:16 acetic-acid/CG_SIM/072_GRAD/bulk/ACA_bulk_072_gr.o28849673 17641 06-25-2021 16:58 acetic-acid/CG_SIM/072_GRAD/bulk/BocsRDF_System_System_total.dat 279 06-25-2021 16:17 acetic-acid/CG_SIM/072_GRAD/bulk/PRhocurve.bw.0.0001.dat 505 06-25-2021 15:58 acetic-acid/CG_SIM/072_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 02:34 acetic-acid/CG_SIM/072_GRAD/bulk/acoh.bulk.data 1728 06-24-2021 10:45 acetic-acid/CG_SIM/072_GRAD/bulk/acoh.bulk.lmp 5452924225 06-24-2021 20:49 acetic-acid/CG_SIM/072_GRAD/bulk/dump.txt 4247519 06-24-2021 20:49 acetic-acid/CG_SIM/072_GRAD/bulk/log.lammps 562 06-25-2021 16:17 acetic-acid/CG_SIM/072_GRAD/bulk/new_EoS_and_fit.dat 4249809 06-24-2021 20:50 acetic-acid/CG_SIM/072_GRAD/bulk/out.dat 1038051 06-24-2021 20:49 acetic-acid/CG_SIM/072_GRAD/bulk/press.dat 834938 06-25-2021 16:17 acetic-acid/CG_SIM/072_GRAD/bulk/prho_eos.dat 834938 06-25-2021 15:58 acetic-acid/CG_SIM/072_GRAD/bulk/prho_eos_wrong.dat 1411477 06-25-2021 16:17 acetic-acid/CG_SIM/072_GRAD/bulk/pv_eos.dat 1411477 06-25-2021 15:58 acetic-acid/CG_SIM/072_GRAD/bulk/pv_eos_wrong.dat 13011 06-25-2021 17:01 acetic-acid/CG_SIM/072_GRAD/bulk/rdf.dat 17640 01-25-2021 13:48 acetic-acid/CG_SIM/072_GRAD/bulk/rdf_old_wrong.dat 92892 06-24-2021 20:47 acetic-acid/CG_SIM/072_GRAD/bulk/state1.restart 92892 06-24-2021 20:49 acetic-acid/CG_SIM/072_GRAD/bulk/state2.restart 1017678 06-24-2021 20:49 acetic-acid/CG_SIM/072_GRAD/bulk/temp.dat 1017519 06-24-2021 20:49 acetic-acid/CG_SIM/072_GRAD/bulk/vol.dat 38114 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/fgrad.dat 91849 04-28-2020 02:32 acetic-acid/CG_SIM/072_GRAD/fgrad_extrap.dat 38114 04-28-2020 02:29 acetic-acid/CG_SIM/072_GRAD/fld.dat 74328 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/fld_extrap.dat 22818 04-28-2020 02:29 acetic-acid/CG_SIM/072_GRAD/fld_new.dat 38454 04-28-2020 02:29 acetic-acid/CG_SIM/072_GRAD/fpair.dat 17946 04-28-2020 02:29 acetic-acid/CG_SIM/072_GRAD/fpair_new.dat 17811 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/fpair_trim.dat 109226 06-24-2021 11:10 acetic-acid/CG_SIM/072_GRAD/gradtable.1.1.dat 104906 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/gradtable.1.1.old.dat 167481 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/gradtable.xvg 98673 04-28-2020 02:32 acetic-acid/CG_SIM/072_GRAD/lammps_nb_ACA_ACA.table 18630 04-28-2020 02:32 acetic-acid/CG_SIM/072_GRAD/lucy.dat 18629 04-28-2020 02:29 acetic-acid/CG_SIM/072_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/072_GRAD/slab/ 40829 04-28-2020 02:32 acetic-acid/CG_SIM/072_GRAD/slab/acoh.slab.data 1736 04-28-2020 02:32 acetic-acid/CG_SIM/072_GRAD/slab/acoh.slab.lmp --------- ------- 8924849671 67 files ===================================================== Content of ZIP archive acetic-acid-14.zip ===================================================== Archive: acetic-acid-14.zip Length Date Time Name --------- ---------- ----- ---- 2594784868 04-28-2020 02:32 acetic-acid/CG_SIM/072_GRAD/slab/cg.trr 3646590 04-28-2020 02:31 acetic-acid/CG_SIM/072_GRAD/slab/copy.dat 6600 04-28-2020 02:31 acetic-acid/CG_SIM/072_GRAD/slab/density.dat 7382 04-28-2020 02:32 acetic-acid/CG_SIM/072_GRAD/slab/density.xvg --------- ------- 2598445440 4 files ===================================================== Content of ZIP archive acetic-acid-15.zip ===================================================== Archive: acetic-acid-15.zip Length Date Time Name --------- ---------- ----- ---- 9015429834 04-28-2020 02:31 acetic-acid/CG_SIM/072_GRAD/slab/dump.txt 4247510 04-28-2020 02:31 acetic-acid/CG_SIM/072_GRAD/slab/log.lammps 4256502 04-28-2020 02:29 acetic-acid/CG_SIM/072_GRAD/slab/out.dat 1053182 04-28-2020 02:32 acetic-acid/CG_SIM/072_GRAD/slab/press.dat 4558087 04-28-2020 02:31 acetic-acid/CG_SIM/072_GRAD/slab/press_tens.dat 184459 04-28-2020 02:32 acetic-acid/CG_SIM/072_GRAD/slab/state1.restart 184459 04-28-2020 02:32 acetic-acid/CG_SIM/072_GRAD/slab/state2.restart 1017545 04-28-2020 02:32 acetic-acid/CG_SIM/072_GRAD/slab/temp.dat 502050 04-28-2020 02:31 acetic-acid/CG_SIM/072_GRAD/slab/vol.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/072_GRAD/slab2/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/ 0 06-25-2021 17:29 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/ACA_slab_072_gr.o28930443 1247611 12-09-2021 22:38 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/Ek_comps.xvg 40829 06-25-2021 17:24 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/acoh.slab.data 1869 06-25-2021 17:27 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/acoh.slab.lmp --------- ------- 9032723937 15 files ===================================================== Content of ZIP archive acetic-acid-16.zip ===================================================== Archive: acetic-acid-16.zip Length Date Time Name --------- ---------- ----- ---- 3888897220 06-28-2021 10:50 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/cg.trr 6600 06-28-2021 10:51 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/density.dat 7364 06-28-2021 10:51 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/density.xvg --------- ------- 3888911184 3 files ===================================================== Content of ZIP archive acetic-acid-17.zip ===================================================== Archive: acetic-acid-17.zip Length Date Time Name --------- ---------- ----- ---- 10918478365 06-26-2021 11:45 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/dump.txt 4247654 06-26-2021 11:45 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/log.lammps 4255150 06-26-2021 11:45 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/out.dat 1053170 06-26-2021 11:45 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/press.dat 4557780 06-26-2021 11:45 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/press_tens.dat 184476 06-26-2021 11:40 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/state1.restart 184476 06-26-2021 11:45 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/state2.restart 698630 11-30-2021 10:53 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/surf_tens.dat 1017573 06-26-2021 11:45 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/temp.dat 502050 06-26-2021 11:45 acetic-acid/CG_SIM/072_GRAD/slab2/RESIM/vol.dat 40829 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/slab2/acoh.slab.data 1736 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/slab2/acoh.slab.lmp --------- ------- 10935221889 12 files ===================================================== Content of ZIP archive acetic-acid-18.zip ===================================================== Archive: acetic-acid-18.zip Length Date Time Name --------- ---------- ----- ---- 2594784868 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/slab2/cg.trr 1777617 04-28-2020 02:36 acetic-acid/CG_SIM/072_GRAD/slab2/copy.dat 6600 04-28-2020 02:36 acetic-acid/CG_SIM/072_GRAD/slab2/density.dat 7352 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/slab2/density.xvg --------- ------- 2596576437 4 files ===================================================== Content of ZIP archive acetic-acid-19.zip ===================================================== Archive: acetic-acid-19.zip Length Date Time Name --------- ---------- ----- ---- 9015429834 04-28-2020 02:36 acetic-acid/CG_SIM/072_GRAD/slab2/dump.txt 4247510 04-28-2020 02:36 acetic-acid/CG_SIM/072_GRAD/slab2/log.lammps 4256502 04-28-2020 02:34 acetic-acid/CG_SIM/072_GRAD/slab2/out.dat 1053182 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/slab2/press.dat 4558087 04-28-2020 02:36 acetic-acid/CG_SIM/072_GRAD/slab2/press_tens.dat 184459 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/slab2/state1.restart 184459 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/slab2/state2.restart 698616 11-30-2021 10:58 acetic-acid/CG_SIM/072_GRAD/slab2/surf_tens.dat 1017545 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/slab2/temp.dat 502050 04-28-2020 02:36 acetic-acid/CG_SIM/072_GRAD/slab2/vol.dat 163510 06-24-2021 11:10 acetic-acid/CG_SIM/072_GRAD/table.1.1.dat 164578 04-28-2020 02:29 acetic-acid/CG_SIM/072_GRAD/table.1.1.old.dat 244433 04-28-2020 02:37 acetic-acid/CG_SIM/072_GRAD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/072_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/072_LD/bulk/ 254 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/bulk/acoh.bulk.data 1652 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/bulk/acoh.bulk.lmp --------- ------- 9032726168 18 files ===================================================== Content of ZIP archive acetic-acid-20.zip ===================================================== Archive: acetic-acid-20.zip Length Date Time Name --------- ---------- ----- ---- 3439834207 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/bulk/dump.txt 4247440 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/bulk/log.lammps 4250058 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/bulk/out.dat 1037801 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/bulk/press.dat 834076 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/bulk/prho_eos.dat 1411306 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/bulk/pv_eos.dat 92875 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/bulk/state1.restart 92875 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/bulk/state2.restart 1017531 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/bulk/temp.dat 1017598 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/bulk/vol.dat 38123 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/fld.dat 74459 04-28-2020 02:28 acetic-acid/CG_SIM/072_LD/fld_extrap.dat 23091 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/fld_new.dat 38454 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/fpair.dat 17689 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/fpair_new.dat 17552 04-28-2020 02:29 acetic-acid/CG_SIM/072_LD/fpair_trim.dat 98223 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/lammps_nb_ACA_ACA.table 18630 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/lucy.dat 18629 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/072_LD/slab/ 40829 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/slab/acoh.slab.data 1737 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/slab/acoh.slab.lmp 164435 04-28-2020 02:27 acetic-acid/CG_SIM/072_LD/table.1.1.dat 244001 04-28-2020 02:29 acetic-acid/CG_SIM/072_LD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/075_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/075_GRAD/bulk/ 0 06-23-2021 23:38 acetic-acid/CG_SIM/075_GRAD/bulk/ACA_bulk_075_gr.o28827261 0 06-24-2021 10:39 acetic-acid/CG_SIM/075_GRAD/bulk/ACA_bulk_075_gr.o28847314 0 06-24-2021 10:59 acetic-acid/CG_SIM/075_GRAD/bulk/ACA_bulk_075_gr.o28848327 0 06-24-2021 11:16 acetic-acid/CG_SIM/075_GRAD/bulk/ACA_bulk_075_gr.o28849674 255 06-25-2021 16:17 acetic-acid/CG_SIM/075_GRAD/bulk/PRhocurve.bw.0.0001.dat 518 06-25-2021 15:58 acetic-acid/CG_SIM/075_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 03:16 acetic-acid/CG_SIM/075_GRAD/bulk/acoh.bulk.data 1728 06-24-2021 10:45 acetic-acid/CG_SIM/075_GRAD/bulk/acoh.bulk.lmp 5455375712 06-24-2021 21:02 acetic-acid/CG_SIM/075_GRAD/bulk/dump.txt 4247519 06-24-2021 21:02 acetic-acid/CG_SIM/075_GRAD/bulk/log.lammps 507 06-25-2021 16:17 acetic-acid/CG_SIM/075_GRAD/bulk/new_EoS_and_fit.dat 4247312 06-24-2021 21:02 acetic-acid/CG_SIM/075_GRAD/bulk/out.dat 1037846 06-24-2021 21:02 acetic-acid/CG_SIM/075_GRAD/bulk/press.dat 834938 06-25-2021 16:17 acetic-acid/CG_SIM/075_GRAD/bulk/prho_eos.dat 834938 06-25-2021 15:58 acetic-acid/CG_SIM/075_GRAD/bulk/prho_eos_wrong.dat 1411395 06-25-2021 16:17 acetic-acid/CG_SIM/075_GRAD/bulk/pv_eos.dat 1411395 06-25-2021 15:58 acetic-acid/CG_SIM/075_GRAD/bulk/pv_eos_wrong.dat 92892 06-24-2021 20:59 acetic-acid/CG_SIM/075_GRAD/bulk/state1.restart 92892 06-24-2021 21:02 acetic-acid/CG_SIM/075_GRAD/bulk/state2.restart 1017620 06-24-2021 21:02 acetic-acid/CG_SIM/075_GRAD/bulk/temp.dat 1017642 06-24-2021 21:02 acetic-acid/CG_SIM/075_GRAD/bulk/vol.dat 38794 04-28-2020 03:16 acetic-acid/CG_SIM/075_GRAD/fgrad.dat 88453 04-28-2020 03:14 acetic-acid/CG_SIM/075_GRAD/fgrad_extrap.dat 38794 04-28-2020 03:14 acetic-acid/CG_SIM/075_GRAD/fld.dat 74407 04-28-2020 03:16 acetic-acid/CG_SIM/075_GRAD/fld_extrap.dat 23036 04-28-2020 03:14 acetic-acid/CG_SIM/075_GRAD/fld_new.dat 38454 04-28-2020 03:14 acetic-acid/CG_SIM/075_GRAD/fpair.dat 17905 04-28-2020 03:14 acetic-acid/CG_SIM/075_GRAD/fpair_new.dat 17769 04-28-2020 03:16 acetic-acid/CG_SIM/075_GRAD/fpair_trim.dat 108581 06-24-2021 11:10 acetic-acid/CG_SIM/075_GRAD/gradtable.1.1.dat 104258 04-28-2020 03:16 acetic-acid/CG_SIM/075_GRAD/gradtable.1.1.old.dat 167566 04-28-2020 03:16 acetic-acid/CG_SIM/075_GRAD/gradtable.xvg 98645 04-28-2020 03:14 acetic-acid/CG_SIM/075_GRAD/lammps_nb_ACA_ACA.table 18853 04-28-2020 03:14 acetic-acid/CG_SIM/075_GRAD/lucy.dat 18831 04-28-2020 03:14 acetic-acid/CG_SIM/075_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/075_GRAD/slab/ 40829 04-28-2020 03:14 acetic-acid/CG_SIM/075_GRAD/slab/acoh.slab.data 1736 04-28-2020 03:14 acetic-acid/CG_SIM/075_GRAD/slab/acoh.slab.lmp 163526 06-24-2021 11:10 acetic-acid/CG_SIM/075_GRAD/table.1.1.dat 164586 04-28-2020 03:14 acetic-acid/CG_SIM/075_GRAD/table.1.1.old.dat 244414 04-28-2020 03:16 acetic-acid/CG_SIM/075_GRAD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/075_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/075_LD/bulk/ 257 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/bulk/acoh.bulk.data 1652 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/bulk/acoh.bulk.lmp --------- ------- 8927767068 72 files ===================================================== Content of ZIP archive acetic-acid-21.zip ===================================================== Archive: acetic-acid-21.zip Length Date Time Name --------- ---------- ----- ---- 3439673852 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/bulk/dump.txt 4247442 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/bulk/log.lammps 4250059 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/bulk/out.dat 1037980 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/bulk/press.dat 834645 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/bulk/prho_eos.dat 1411542 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/bulk/pv_eos.dat 92875 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/bulk/state1.restart 92875 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/bulk/state2.restart 1017627 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/bulk/temp.dat 1017655 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/bulk/vol.dat 38794 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/fld.dat 74415 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/fld_extrap.dat 23196 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/fld_new.dat 38454 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/fpair.dat 17689 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/fpair_new.dat 17552 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/fpair_trim.dat 98207 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/lammps_nb_ACA_ACA.table 18853 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/lucy.dat 18831 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/075_LD/slab/ 40829 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/slab/acoh.slab.data 1737 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/slab/acoh.slab.lmp 165621 04-28-2020 03:00 acetic-acid/CG_SIM/075_LD/table.1.1.dat 243985 04-28-2020 03:02 acetic-acid/CG_SIM/075_LD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/080_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/080_GRAD/bulk/ 0 06-23-2021 23:38 acetic-acid/CG_SIM/080_GRAD/bulk/ACA_bulk_080_gr.o28827266 0 06-24-2021 10:39 acetic-acid/CG_SIM/080_GRAD/bulk/ACA_bulk_080_gr.o28847316 0 06-24-2021 10:59 acetic-acid/CG_SIM/080_GRAD/bulk/ACA_bulk_080_gr.o28848329 0 06-24-2021 11:16 acetic-acid/CG_SIM/080_GRAD/bulk/ACA_bulk_080_gr.o28849675 272 06-25-2021 16:17 acetic-acid/CG_SIM/080_GRAD/bulk/PRhocurve.bw.0.0001.dat 496 06-25-2021 15:58 acetic-acid/CG_SIM/080_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 03:19 acetic-acid/CG_SIM/080_GRAD/bulk/acoh.bulk.data 1728 06-24-2021 10:45 acetic-acid/CG_SIM/080_GRAD/bulk/acoh.bulk.lmp 5457294414 06-24-2021 21:36 acetic-acid/CG_SIM/080_GRAD/bulk/dump.txt 4247517 06-24-2021 21:36 acetic-acid/CG_SIM/080_GRAD/bulk/log.lammps 553 06-25-2021 16:17 acetic-acid/CG_SIM/080_GRAD/bulk/new_EoS_and_fit.dat 4249768 06-24-2021 21:36 acetic-acid/CG_SIM/080_GRAD/bulk/out.dat 1038027 06-24-2021 21:36 acetic-acid/CG_SIM/080_GRAD/bulk/press.dat 835357 06-25-2021 16:17 acetic-acid/CG_SIM/080_GRAD/bulk/prho_eos.dat 835357 06-25-2021 15:58 acetic-acid/CG_SIM/080_GRAD/bulk/prho_eos_wrong.dat 1411502 06-25-2021 16:17 acetic-acid/CG_SIM/080_GRAD/bulk/pv_eos.dat 1411502 06-25-2021 15:58 acetic-acid/CG_SIM/080_GRAD/bulk/pv_eos_wrong.dat 92892 06-24-2021 21:33 acetic-acid/CG_SIM/080_GRAD/bulk/state1.restart 92892 06-24-2021 21:36 acetic-acid/CG_SIM/080_GRAD/bulk/state2.restart 1017626 06-24-2021 21:36 acetic-acid/CG_SIM/080_GRAD/bulk/temp.dat 1017568 06-24-2021 21:36 acetic-acid/CG_SIM/080_GRAD/bulk/vol.dat 40154 04-28-2020 03:19 acetic-acid/CG_SIM/080_GRAD/fgrad.dat 88555 04-28-2020 03:17 acetic-acid/CG_SIM/080_GRAD/fgrad_extrap.dat 40154 04-28-2020 03:17 acetic-acid/CG_SIM/080_GRAD/fld.dat 74311 04-28-2020 03:19 acetic-acid/CG_SIM/080_GRAD/fld_extrap.dat 23887 04-28-2020 03:17 acetic-acid/CG_SIM/080_GRAD/fld_new.dat 38454 04-28-2020 03:17 acetic-acid/CG_SIM/080_GRAD/fpair.dat 17960 04-28-2020 03:17 acetic-acid/CG_SIM/080_GRAD/fpair_new.dat 17823 04-28-2020 03:19 acetic-acid/CG_SIM/080_GRAD/fpair_trim.dat 107359 06-24-2021 11:10 acetic-acid/CG_SIM/080_GRAD/gradtable.1.1.dat 103042 04-28-2020 03:19 acetic-acid/CG_SIM/080_GRAD/gradtable.1.1.old.dat 166447 04-28-2020 03:19 acetic-acid/CG_SIM/080_GRAD/gradtable.xvg 98577 04-28-2020 03:17 acetic-acid/CG_SIM/080_GRAD/lammps_nb_ACA_ACA.table 19249 04-28-2020 03:17 acetic-acid/CG_SIM/080_GRAD/lucy.dat 19204 04-28-2020 03:17 acetic-acid/CG_SIM/080_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/080_GRAD/slab/ 40829 04-28-2020 03:17 acetic-acid/CG_SIM/080_GRAD/slab/acoh.slab.data 1736 04-28-2020 03:17 acetic-acid/CG_SIM/080_GRAD/slab/acoh.slab.lmp 163051 06-24-2021 11:10 acetic-acid/CG_SIM/080_GRAD/table.1.1.dat 164082 04-28-2020 03:17 acetic-acid/CG_SIM/080_GRAD/table.1.1.old.dat 244362 04-28-2020 03:19 acetic-acid/CG_SIM/080_GRAD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/080_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/080_LD/bulk/ 278 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/bulk/acoh.bulk.data 1652 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/bulk/acoh.bulk.lmp --------- ------- 8929532346 72 files ===================================================== Content of ZIP archive acetic-acid-22.zip ===================================================== Archive: acetic-acid-22.zip Length Date Time Name --------- ---------- ----- ---- 3439727480 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/bulk/dump.txt 4250061 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/bulk/out.dat 1038079 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/bulk/press.dat 835174 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/bulk/prho_eos.dat 1411655 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/bulk/pv_eos.dat 92875 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/bulk/state1.restart 92875 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/bulk/state2.restart 1017549 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/bulk/temp.dat 1017669 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/bulk/vol.dat 40154 04-28-2020 02:19 acetic-acid/CG_SIM/080_LD/fld.dat 74374 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/fld_extrap.dat 24109 04-28-2020 02:19 acetic-acid/CG_SIM/080_LD/fld_new.dat 38454 04-28-2020 02:19 acetic-acid/CG_SIM/080_LD/fpair.dat 17742 04-28-2020 02:19 acetic-acid/CG_SIM/080_LD/fpair_new.dat 17604 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/fpair_trim.dat 98140 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/lammps_nb_ACA_ACA.table 19249 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/lucy.dat 19204 04-28-2020 02:19 acetic-acid/CG_SIM/080_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/080_LD/slab/ 40829 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/slab/acoh.slab.data 1737 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/slab/acoh.slab.lmp 2594784868 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/slab/cg.trr 6600 04-28-2020 02:21 acetic-acid/CG_SIM/080_LD/slab/density.dat 7366 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/slab/density.xvg --------- ------- 6044673847 24 files ===================================================== Content of ZIP archive acetic-acid-23.zip ===================================================== Archive: acetic-acid-23.zip Length Date Time Name --------- ---------- ----- ---- 6902681642 04-28-2020 02:21 acetic-acid/CG_SIM/080_LD/slab/dump.txt 4247521 04-28-2020 02:21 acetic-acid/CG_SIM/080_LD/slab/log.lammps 4266043 04-28-2020 02:19 acetic-acid/CG_SIM/080_LD/slab/out.dat 1049570 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/slab/press.dat 4551950 04-28-2020 02:21 acetic-acid/CG_SIM/080_LD/slab/press_tens.dat 184491 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/slab/state1.restart 184491 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/slab/state2.restart 1017640 04-28-2020 02:22 acetic-acid/CG_SIM/080_LD/slab/temp.dat 502050 04-28-2020 02:21 acetic-acid/CG_SIM/080_LD/slab/vol.dat 164995 04-28-2020 02:19 acetic-acid/CG_SIM/080_LD/table.1.1.dat 243920 04-28-2020 02:23 acetic-acid/CG_SIM/080_LD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/085_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/085_GRAD/bulk/ 241 06-25-2021 16:17 acetic-acid/CG_SIM/085_GRAD/bulk/PRhocurve.bw.0.0001.dat 437 06-25-2021 15:58 acetic-acid/CG_SIM/085_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 03:04 acetic-acid/CG_SIM/085_GRAD/bulk/acoh.bulk.data 1728 06-24-2021 10:45 acetic-acid/CG_SIM/085_GRAD/bulk/acoh.bulk.lmp 962067 04-28-2020 03:04 acetic-acid/CG_SIM/085_GRAD/bulk/copy.dat --------- ------- 6920078283 18 files ===================================================== Content of ZIP archive acetic-acid-24.zip ===================================================== Archive: acetic-acid-24.zip Length Date Time Name --------- ---------- ----- ---- 5458856724 06-24-2021 22:09 acetic-acid/CG_SIM/085_GRAD/bulk/dump.txt 4247523 06-24-2021 22:09 acetic-acid/CG_SIM/085_GRAD/bulk/log.lammps 499 06-25-2021 16:17 acetic-acid/CG_SIM/085_GRAD/bulk/new_EoS_and_fit.dat 4247316 06-24-2021 22:09 acetic-acid/CG_SIM/085_GRAD/bulk/out.dat 1038002 06-24-2021 22:09 acetic-acid/CG_SIM/085_GRAD/bulk/press.dat 835476 06-25-2021 16:17 acetic-acid/CG_SIM/085_GRAD/bulk/prho_eos.dat 835476 06-25-2021 15:58 acetic-acid/CG_SIM/085_GRAD/bulk/prho_eos_wrong.dat 1411564 06-25-2021 16:17 acetic-acid/CG_SIM/085_GRAD/bulk/pv_eos.dat 1411564 06-25-2021 15:58 acetic-acid/CG_SIM/085_GRAD/bulk/pv_eos_wrong.dat 92892 06-24-2021 22:06 acetic-acid/CG_SIM/085_GRAD/bulk/state1.restart 92892 06-24-2021 22:09 acetic-acid/CG_SIM/085_GRAD/bulk/state2.restart 1017689 06-24-2021 22:09 acetic-acid/CG_SIM/085_GRAD/bulk/temp.dat 1017655 06-24-2021 22:09 acetic-acid/CG_SIM/085_GRAD/bulk/vol.dat 40494 04-28-2020 03:04 acetic-acid/CG_SIM/085_GRAD/fgrad.dat 92213 04-28-2020 03:02 acetic-acid/CG_SIM/085_GRAD/fgrad_extrap.dat 40494 04-28-2020 03:02 acetic-acid/CG_SIM/085_GRAD/fld.dat 74751 04-28-2020 03:04 acetic-acid/CG_SIM/085_GRAD/fld_extrap.dat 24004 04-28-2020 03:02 acetic-acid/CG_SIM/085_GRAD/fld_new.dat 38454 04-28-2020 03:02 acetic-acid/CG_SIM/085_GRAD/fpair.dat 17558 04-28-2020 03:02 acetic-acid/CG_SIM/085_GRAD/fpair_new.dat 17419 04-28-2020 03:04 acetic-acid/CG_SIM/085_GRAD/fpair_trim.dat 106897 06-24-2021 11:10 acetic-acid/CG_SIM/085_GRAD/gradtable.1.1.dat 102772 04-28-2020 03:04 acetic-acid/CG_SIM/085_GRAD/gradtable.1.1.old.dat 166093 04-28-2020 03:04 acetic-acid/CG_SIM/085_GRAD/gradtable.xvg 98403 04-28-2020 03:02 acetic-acid/CG_SIM/085_GRAD/lammps_nb_ACA_ACA.table 19609 04-28-2020 03:02 acetic-acid/CG_SIM/085_GRAD/lucy.dat 19652 04-28-2020 03:02 acetic-acid/CG_SIM/085_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/085_GRAD/slab/ 40829 04-28-2020 03:02 acetic-acid/CG_SIM/085_GRAD/slab/acoh.slab.data 1736 04-28-2020 03:02 acetic-acid/CG_SIM/085_GRAD/slab/acoh.slab.lmp 162129 06-24-2021 11:10 acetic-acid/CG_SIM/085_GRAD/table.1.1.dat 163110 04-28-2020 03:02 acetic-acid/CG_SIM/085_GRAD/table.1.1.old.dat 244184 04-28-2020 03:04 acetic-acid/CG_SIM/085_GRAD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/085_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/085_LD/bulk/ 219 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/bulk/acoh.bulk.data 1652 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/bulk/acoh.bulk.lmp 3439649609 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/bulk/dump.txt 4247439 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/bulk/log.lammps 4250057 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/bulk/out.dat 1038005 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/bulk/press.dat 835857 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/bulk/prho_eos.dat 1411469 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/bulk/pv_eos.dat 92875 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/bulk/state1.restart 92875 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/bulk/state2.restart 1017605 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/bulk/temp.dat 1017557 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/bulk/vol.dat 40494 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/fld.dat 74306 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/fld_extrap.dat 24203 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/fld_new.dat 38454 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/fpair.dat 17595 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/fpair_new.dat 17457 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/fpair_trim.dat 97928 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/lammps_nb_ACA_ACA.table 19609 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/lucy.dat 19652 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/085_LD/slab/ 40829 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/slab/acoh.slab.data 1737 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/slab/acoh.slab.lmp 168023 04-28-2020 02:26 acetic-acid/CG_SIM/085_LD/table.1.1.dat 243696 04-28-2020 02:27 acetic-acid/CG_SIM/085_LD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/090_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/090_GRAD/bulk/ 0 06-23-2021 23:39 acetic-acid/CG_SIM/090_GRAD/bulk/ACA_bulk_090_gr.o28827277 0 06-24-2021 10:39 acetic-acid/CG_SIM/090_GRAD/bulk/ACA_bulk_090_gr.o28847318 0 06-24-2021 10:59 acetic-acid/CG_SIM/090_GRAD/bulk/ACA_bulk_090_gr.o28848332 0 06-24-2021 11:16 acetic-acid/CG_SIM/090_GRAD/bulk/ACA_bulk_090_gr.o28849677 248 06-25-2021 16:17 acetic-acid/CG_SIM/090_GRAD/bulk/PRhocurve.bw.0.0001.dat 442 06-25-2021 15:58 acetic-acid/CG_SIM/090_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 03:06 acetic-acid/CG_SIM/090_GRAD/bulk/acoh.bulk.data 1728 06-24-2021 10:45 acetic-acid/CG_SIM/090_GRAD/bulk/acoh.bulk.lmp --------- ------- 8931076687 72 files ===================================================== Content of ZIP archive acetic-acid-25.zip ===================================================== Archive: acetic-acid-25.zip Length Date Time Name --------- ---------- ----- ---- 5460870467 06-24-2021 22:51 acetic-acid/CG_SIM/090_GRAD/bulk/dump.txt 4247520 06-24-2021 22:51 acetic-acid/CG_SIM/090_GRAD/bulk/log.lammps 506 06-25-2021 16:17 acetic-acid/CG_SIM/090_GRAD/bulk/new_EoS_and_fit.dat 4249771 06-24-2021 22:51 acetic-acid/CG_SIM/090_GRAD/bulk/out.dat 1037914 06-24-2021 22:51 acetic-acid/CG_SIM/090_GRAD/bulk/press.dat 834588 06-25-2021 16:17 acetic-acid/CG_SIM/090_GRAD/bulk/prho_eos.dat 834588 06-25-2021 15:58 acetic-acid/CG_SIM/090_GRAD/bulk/prho_eos_wrong.dat 1411431 06-25-2021 16:17 acetic-acid/CG_SIM/090_GRAD/bulk/pv_eos.dat 1411431 06-25-2021 15:58 acetic-acid/CG_SIM/090_GRAD/bulk/pv_eos_wrong.dat 92892 06-24-2021 22:48 acetic-acid/CG_SIM/090_GRAD/bulk/state1.restart 92892 06-24-2021 22:51 acetic-acid/CG_SIM/090_GRAD/bulk/state2.restart 1017611 06-24-2021 22:51 acetic-acid/CG_SIM/090_GRAD/bulk/temp.dat 1017610 06-24-2021 22:51 acetic-acid/CG_SIM/090_GRAD/bulk/vol.dat 41174 04-28-2020 03:06 acetic-acid/CG_SIM/090_GRAD/fgrad.dat 90829 04-28-2020 03:05 acetic-acid/CG_SIM/090_GRAD/fgrad_extrap.dat 41174 04-28-2020 03:05 acetic-acid/CG_SIM/090_GRAD/fld.dat 74153 04-28-2020 03:06 acetic-acid/CG_SIM/090_GRAD/fld_extrap.dat 24501 04-28-2020 03:05 acetic-acid/CG_SIM/090_GRAD/fld_new.dat 38454 04-28-2020 03:05 acetic-acid/CG_SIM/090_GRAD/fpair.dat 17478 04-28-2020 03:05 acetic-acid/CG_SIM/090_GRAD/fpair_new.dat 17340 04-28-2020 03:06 acetic-acid/CG_SIM/090_GRAD/fpair_trim.dat 197071 06-24-2021 11:10 acetic-acid/CG_SIM/090_GRAD/gradtable.1.1.dat 197924 04-28-2020 03:06 acetic-acid/CG_SIM/090_GRAD/gradtable.1.1.old.dat 98347 04-28-2020 03:05 acetic-acid/CG_SIM/090_GRAD/lammps_nb_ACA_ACA.table 19961 04-28-2020 03:05 acetic-acid/CG_SIM/090_GRAD/lucy.dat 19991 04-28-2020 03:05 acetic-acid/CG_SIM/090_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/090_GRAD/slab/ 40829 04-28-2020 03:05 acetic-acid/CG_SIM/090_GRAD/slab/acoh.slab.data 1736 04-28-2020 03:05 acetic-acid/CG_SIM/090_GRAD/slab/acoh.slab.lmp 167720 06-24-2021 11:10 acetic-acid/CG_SIM/090_GRAD/table.1.1.dat 168685 04-28-2020 03:05 acetic-acid/CG_SIM/090_GRAD/table.1.1.old.dat 244120 04-28-2020 03:06 acetic-acid/CG_SIM/090_GRAD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/090_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/090_LD/bulk/ 240 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/bulk/acoh.bulk.data 1652 02-18-2021 13:48 acetic-acid/CG_SIM/090_LD/bulk/acoh.bulk.lmp 3439787665 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/bulk/dump.txt 4247444 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/bulk/log.lammps 4250062 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/bulk/out.dat 1037986 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/bulk/press.dat 836250 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/bulk/prho_eos.dat 1411522 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/bulk/pv_eos.dat 17753 01-25-2021 13:31 acetic-acid/CG_SIM/090_LD/bulk/rdf.dat 92875 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/bulk/state1.restart 92875 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/bulk/state2.restart 1017636 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/bulk/temp.dat 1017629 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/bulk/vol.dat 41174 04-28-2020 03:09 acetic-acid/CG_SIM/090_LD/fld.dat 74266 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/fld_extrap.dat 24712 04-28-2020 03:09 acetic-acid/CG_SIM/090_LD/fld_new.dat 38454 04-28-2020 03:09 acetic-acid/CG_SIM/090_LD/fpair.dat 17539 04-28-2020 03:09 acetic-acid/CG_SIM/090_LD/fpair_new.dat 17402 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/fpair_trim.dat 97935 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/lammps_nb_ACA_ACA.table 19961 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/lucy.dat 19991 04-28-2020 03:09 acetic-acid/CG_SIM/090_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/090_LD/slab/ 16807 09-27-2020 20:19 acetic-acid/CG_SIM/090_LD/slab/ForRyan.agr 40829 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/slab/acoh.slab.data 1737 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/slab/acoh.slab.lmp --------- ------- 8932862601 61 files ===================================================== Content of ZIP archive acetic-acid-26.zip ===================================================== Archive: acetic-acid-26.zip Length Date Time Name --------- ---------- ----- ---- 2594784868 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/slab/cg.trr 6600 04-28-2020 03:11 acetic-acid/CG_SIM/090_LD/slab/density.dat 7367 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/slab/density.xvg --------- ------- 2594798835 3 files ===================================================== Content of ZIP archive acetic-acid-27.zip ===================================================== Archive: acetic-acid-27.zip Length Date Time Name --------- ---------- ----- ---- 6902853235 04-28-2020 03:11 acetic-acid/CG_SIM/090_LD/slab/dump.txt 4247524 04-28-2020 03:11 acetic-acid/CG_SIM/090_LD/slab/log.lammps 4266172 04-28-2020 03:09 acetic-acid/CG_SIM/090_LD/slab/out.dat 1051791 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/slab/press.dat 4555639 04-28-2020 03:11 acetic-acid/CG_SIM/090_LD/slab/press_tens.dat 184491 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/slab/state1.restart 184491 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/slab/state2.restart 699403 11-30-2021 10:55 acetic-acid/CG_SIM/090_LD/slab/surf_tens.dat 1017555 04-28-2020 03:12 acetic-acid/CG_SIM/090_LD/slab/temp.dat 502050 04-28-2020 03:11 acetic-acid/CG_SIM/090_LD/slab/vol.dat 168199 04-28-2020 03:09 acetic-acid/CG_SIM/090_LD/table.1.1.dat 243691 04-28-2020 03:14 acetic-acid/CG_SIM/090_LD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/095_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/095_GRAD/bulk/ 0 06-23-2021 23:39 acetic-acid/CG_SIM/095_GRAD/bulk/ACA_bulk_095_gr.o28827282 0 06-24-2021 11:25 acetic-acid/CG_SIM/095_GRAD/bulk/ACA_bulk_095_gr.o28849679 236 06-25-2021 16:17 acetic-acid/CG_SIM/095_GRAD/bulk/PRhocurve.bw.0.0001.dat 473 06-25-2021 15:58 acetic-acid/CG_SIM/095_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 02:38 acetic-acid/CG_SIM/095_GRAD/bulk/acoh.bulk.data 1728 06-24-2021 10:45 acetic-acid/CG_SIM/095_GRAD/bulk/acoh.bulk.lmp --------- ------- 6919996175 20 files ===================================================== Content of ZIP archive acetic-acid-28.zip ===================================================== Archive: acetic-acid-28.zip Length Date Time Name --------- ---------- ----- ---- 5467132900 06-24-2021 23:51 acetic-acid/CG_SIM/095_GRAD/bulk/dump.txt 4247518 06-24-2021 23:51 acetic-acid/CG_SIM/095_GRAD/bulk/log.lammps 502 06-25-2021 16:17 acetic-acid/CG_SIM/095_GRAD/bulk/new_EoS_and_fit.dat 4249748 06-24-2021 23:51 acetic-acid/CG_SIM/095_GRAD/bulk/out.dat 1038098 06-24-2021 23:51 acetic-acid/CG_SIM/095_GRAD/bulk/press.dat 834371 06-25-2021 16:17 acetic-acid/CG_SIM/095_GRAD/bulk/prho_eos.dat 834371 06-25-2021 15:58 acetic-acid/CG_SIM/095_GRAD/bulk/prho_eos_wrong.dat 1411711 06-25-2021 16:17 acetic-acid/CG_SIM/095_GRAD/bulk/pv_eos.dat 1411711 06-25-2021 15:58 acetic-acid/CG_SIM/095_GRAD/bulk/pv_eos_wrong.dat 92892 06-24-2021 23:48 acetic-acid/CG_SIM/095_GRAD/bulk/state1.restart 92892 06-24-2021 23:51 acetic-acid/CG_SIM/095_GRAD/bulk/state2.restart 1017518 06-24-2021 23:51 acetic-acid/CG_SIM/095_GRAD/bulk/temp.dat 1017706 06-24-2021 23:51 acetic-acid/CG_SIM/095_GRAD/bulk/vol.dat 41174 04-28-2020 02:38 acetic-acid/CG_SIM/095_GRAD/fgrad.dat 95133 04-28-2020 02:37 acetic-acid/CG_SIM/095_GRAD/fgrad_extrap.dat 41174 04-28-2020 02:37 acetic-acid/CG_SIM/095_GRAD/fld.dat 73845 04-28-2020 02:38 acetic-acid/CG_SIM/095_GRAD/fld_extrap.dat 24549 04-28-2020 02:37 acetic-acid/CG_SIM/095_GRAD/fld_new.dat 38454 04-28-2020 02:37 acetic-acid/CG_SIM/095_GRAD/fpair.dat 17374 04-28-2020 02:37 acetic-acid/CG_SIM/095_GRAD/fpair_new.dat 17236 04-28-2020 02:38 acetic-acid/CG_SIM/095_GRAD/fpair_trim.dat 192547 06-24-2021 11:10 acetic-acid/CG_SIM/095_GRAD/gradtable.1.1.dat 193065 04-28-2020 02:38 acetic-acid/CG_SIM/095_GRAD/gradtable.1.1.old.dat 98072 04-28-2020 02:37 acetic-acid/CG_SIM/095_GRAD/lammps_nb_ACA_ACA.table 20345 04-28-2020 02:37 acetic-acid/CG_SIM/095_GRAD/lucy.dat 20452 04-28-2020 02:37 acetic-acid/CG_SIM/095_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/095_GRAD/slab/ 40829 04-28-2020 02:37 acetic-acid/CG_SIM/095_GRAD/slab/acoh.slab.data 1736 04-28-2020 02:37 acetic-acid/CG_SIM/095_GRAD/slab/acoh.slab.lmp 163002 06-24-2021 11:10 acetic-acid/CG_SIM/095_GRAD/table.1.1.dat 164072 04-28-2020 02:37 acetic-acid/CG_SIM/095_GRAD/table.1.1.old.dat 243825 04-28-2020 02:38 acetic-acid/CG_SIM/095_GRAD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/095_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/095_LD/bulk/ 219 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/bulk/acoh.bulk.data 1652 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/bulk/acoh.bulk.lmp 3439724517 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/bulk/dump.txt 4247442 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/bulk/log.lammps 4250060 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/bulk/out.dat 1038045 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/bulk/press.dat 836619 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/bulk/prho_eos.dat 1411509 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/bulk/pv_eos.dat 92875 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/bulk/state1.restart 92875 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/bulk/state2.restart 1017563 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/bulk/temp.dat 1017557 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/bulk/vol.dat 41174 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/fld.dat 74273 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/fld_extrap.dat 24683 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/fld_new.dat 38454 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/fpair.dat 17512 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/fpair_new.dat 17375 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/fpair_trim.dat 97943 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/lammps_nb_ACA_ACA.table 20345 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/lucy.dat 20452 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/095_LD/slab/ 40829 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/slab/acoh.slab.data 1737 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/slab/acoh.slab.lmp 165361 04-28-2020 03:16 acetic-acid/CG_SIM/095_LD/table.1.1.dat 243683 04-28-2020 03:17 acetic-acid/CG_SIM/095_LD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/100_GRAD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/100_GRAD/bulk/ 0 06-23-2021 23:39 acetic-acid/CG_SIM/100_GRAD/bulk/ACA_bulk_100_gr.o28827287 0 06-24-2021 20:28 acetic-acid/CG_SIM/100_GRAD/bulk/ACA_bulk_100_gr.o28849680 218 06-25-2021 16:17 acetic-acid/CG_SIM/100_GRAD/bulk/PRhocurve.bw.0.0001.dat 435 06-25-2021 15:58 acetic-acid/CG_SIM/100_GRAD/bulk/PRhocurve.bw.5e-05.dat 19497 04-28-2020 02:57 acetic-acid/CG_SIM/100_GRAD/bulk/acoh.bulk.data 1730 06-24-2021 10:45 acetic-acid/CG_SIM/100_GRAD/bulk/acoh.bulk.lmp --------- ------- 8939444953 69 files ===================================================== Content of ZIP archive acetic-acid-29.zip ===================================================== Archive: acetic-acid-29.zip Length Date Time Name --------- ---------- ----- ---- 5476228659 06-25-2021 09:42 acetic-acid/CG_SIM/100_GRAD/bulk/dump.txt 4247524 06-25-2021 09:42 acetic-acid/CG_SIM/100_GRAD/bulk/log.lammps 470 06-25-2021 16:17 acetic-acid/CG_SIM/100_GRAD/bulk/new_EoS_and_fit.dat 4247315 06-25-2021 09:42 acetic-acid/CG_SIM/100_GRAD/bulk/out.dat 1038229 06-25-2021 09:42 acetic-acid/CG_SIM/100_GRAD/bulk/press.dat 834213 06-25-2021 16:17 acetic-acid/CG_SIM/100_GRAD/bulk/prho_eos.dat 834213 06-25-2021 15:58 acetic-acid/CG_SIM/100_GRAD/bulk/prho_eos_wrong.dat 1411706 06-25-2021 16:17 acetic-acid/CG_SIM/100_GRAD/bulk/pv_eos.dat 1411706 06-25-2021 15:58 acetic-acid/CG_SIM/100_GRAD/bulk/pv_eos_wrong.dat 92892 06-25-2021 09:38 acetic-acid/CG_SIM/100_GRAD/bulk/state1.restart 92892 06-25-2021 09:42 acetic-acid/CG_SIM/100_GRAD/bulk/state2.restart 1017686 06-25-2021 09:42 acetic-acid/CG_SIM/100_GRAD/bulk/temp.dat 1017570 06-25-2021 09:42 acetic-acid/CG_SIM/100_GRAD/bulk/vol.dat 41519 04-28-2020 02:57 acetic-acid/CG_SIM/100_GRAD/fgrad.dat 84192 04-28-2020 02:55 acetic-acid/CG_SIM/100_GRAD/fgrad_extrap.dat 41567 04-28-2020 02:55 acetic-acid/CG_SIM/100_GRAD/fld.dat 74282 04-28-2020 02:57 acetic-acid/CG_SIM/100_GRAD/fld_extrap.dat 24996 04-28-2020 02:55 acetic-acid/CG_SIM/100_GRAD/fld_new.dat 38454 04-28-2020 02:55 acetic-acid/CG_SIM/100_GRAD/fpair.dat 17383 04-28-2020 02:55 acetic-acid/CG_SIM/100_GRAD/fpair_new.dat 17245 04-28-2020 02:57 acetic-acid/CG_SIM/100_GRAD/fpair_trim.dat 192248 06-24-2021 11:10 acetic-acid/CG_SIM/100_GRAD/gradtable.1.1.dat 192939 04-28-2020 02:57 acetic-acid/CG_SIM/100_GRAD/gradtable.1.1.old.dat 97990 04-28-2020 02:55 acetic-acid/CG_SIM/100_GRAD/lammps_nb_ACA_ACA.table 20724 04-28-2020 02:55 acetic-acid/CG_SIM/100_GRAD/lucy.dat 20793 04-28-2020 02:55 acetic-acid/CG_SIM/100_GRAD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/100_GRAD/slab/ 40829 04-28-2020 02:55 acetic-acid/CG_SIM/100_GRAD/slab/acoh.slab.data 1738 04-28-2020 02:55 acetic-acid/CG_SIM/100_GRAD/slab/acoh.slab.lmp 163333 06-24-2021 11:10 acetic-acid/CG_SIM/100_GRAD/table.1.1.dat 164474 04-28-2020 02:55 acetic-acid/CG_SIM/100_GRAD/table.1.1.old.dat 243726 04-28-2020 02:57 acetic-acid/CG_SIM/100_GRAD/table_ACA_ACA.xvg 0 04-15-2022 12:04 acetic-acid/CG_SIM/100_LD/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/100_LD/bulk/ 218 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/bulk/acoh.bulk.data 1654 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/bulk/acoh.bulk.lmp 3439551658 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/bulk/dump.txt 4247444 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/bulk/log.lammps 4250087 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/bulk/out.dat 1037922 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/bulk/press.dat 836404 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/bulk/prho_eos.dat 1411346 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/bulk/pv_eos.dat 92875 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/bulk/state1.restart 92875 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/bulk/state2.restart 1017576 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/bulk/temp.dat 1017517 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/bulk/vol.dat 41514 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/fld.dat 74232 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/fld_extrap.dat 25017 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/fld_new.dat 38454 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/fpair.dat 17469 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/fpair_new.dat 17336 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/fpair_trim.dat 97947 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/lammps_nb_ACA_ACA.table 20724 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/lucy.dat 20793 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/lucy_prime.dat 0 04-15-2022 12:13 acetic-acid/CG_SIM/100_LD/slab/ 40829 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/slab/acoh.slab.data 1739 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/slab/acoh.slab.lmp 167849 04-28-2020 02:48 acetic-acid/CG_SIM/100_LD/table.1.1.dat 243676 04-28-2020 02:49 acetic-acid/CG_SIM/100_LD/table_ACA_ACA.xvg 1063165 05-28-2020 21:38 acetic-acid/CG_SIM/CGFF_fig.agr 41595 05-28-2020 21:38 acetic-acid/CG_SIM/CGFF_fig.png 67024 04-28-2020 03:19 acetic-acid/CG_SIM/CG_ACOH.tpr 0 04-15-2022 12:04 acetic-acid/CG_SIM/EoS/ 57532 04-28-2020 03:06 acetic-acid/CG_SIM/EoS/Dens_Compress.agr 57158 04-28-2020 03:06 acetic-acid/CG_SIM/EoS/Dens_Compress.png 57532 05-28-2020 21:05 acetic-acid/CG_SIM/EoS/EoSFig.agr 24135 05-28-2020 21:06 acetic-acid/CG_SIM/EoS/EoSFig.png 470 04-28-2020 03:06 acetic-acid/CG_SIM/EoS/new_EoS_and_fit.dat 60450 05-28-2020 21:49 acetic-acid/CG_SIM/SlabDensComp.agr 40554 05-28-2020 21:49 acetic-acid/CG_SIM/SlabDensComp.png 19497 04-28-2020 02:51 acetic-acid/CG_SIM/acoh.bulk.data 1654 04-28-2020 03:19 acetic-acid/CG_SIM/acoh.bulk.lmp 40829 04-28-2020 03:09 acetic-acid/CG_SIM/acoh.slab.data 1739 04-28-2020 03:06 acetic-acid/CG_SIM/acoh.slab.lmp 554 12-09-2021 22:36 acetic-acid/CG_SIM/acoh_1348.btp 552 12-09-2021 22:36 acetic-acid/CG_SIM/acoh_674.btp 0 04-15-2022 12:04 acetic-acid/CG_SIM/bigger/ 60440 06-14-2020 19:43 acetic-acid/CG_SIM/bigger/SlabDensComp.agr 103146 06-14-2020 19:43 acetic-acid/CG_SIM/bigger/SlabDensComp.png 158352 07-13-2021 10:57 acetic-acid/CG_SIM/dumptpr.txt 0 04-15-2022 12:04 acetic-acid/CG_SIM/ffs/ 38454 04-28-2020 03:17 acetic-acid/CG_SIM/ffs/fpair_bulk.dat 38454 04-28-2020 03:17 acetic-acid/CG_SIM/ffs/fpair_slab.dat 38148 04-28-2020 03:17 acetic-acid/CG_SIM/ffs/test.dat 46554 04-28-2020 03:06 acetic-acid/CG_SIM/gro.file 0 04-15-2022 12:04 acetic-acid/CG_SIM/pair/ 0 04-15-2022 12:13 acetic-acid/CG_SIM/pair/bulk/ 17378 12-14-2021 12:24 acetic-acid/CG_SIM/pair/bulk/BocsRDF_System_System_total.dat 477 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/PRhocurve.bw.0.0001.dat 19497 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/acoh.bulk.data 1750 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/acoh.bulk.lmp 553 05-27-2021 15:02 acetic-acid/CG_SIM/pair/bulk/acoh_674.btp 645274 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/copy.dat 3067085989 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/dump.txt 4247410 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/log.lammps 4254248 04-28-2020 03:04 acetic-acid/CG_SIM/pair/bulk/out.dat 1037977 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/press.dat 825496 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/prho_eos.dat 1411478 04-28-2020 03:04 acetic-acid/CG_SIM/pair/bulk/pv_eos.dat 92812 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/state1.restart 92812 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/state2.restart 1017594 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/temp.dat 1017594 04-28-2020 03:05 acetic-acid/CG_SIM/pair/bulk/vol.dat 38114 04-28-2020 03:05 acetic-acid/CG_SIM/pair/fpair_slab.dat 98342 04-28-2020 03:04 acetic-acid/CG_SIM/pair/lammps_nb_ACA_ACA.table 0 04-15-2022 12:13 acetic-acid/CG_SIM/pair/slab/ 196 05-27-2021 16:08 acetic-acid/CG_SIM/pair/slab/ACA_slab_pair.o27379296 40829 04-28-2020 03:04 acetic-acid/CG_SIM/pair/slab/acoh.slab.data 1836 05-27-2021 16:07 acetic-acid/CG_SIM/pair/slab/acoh.slab.lmp --------- ------- 12032303803 111 files ===================================================== Content of ZIP archive acetic-acid-30.zip ===================================================== Archive: acetic-acid-30.zip Length Date Time Name --------- ---------- ----- ---- 3888897220 06-08-2021 11:37 acetic-acid/CG_SIM/pair/slab/cg.trr 6600 06-08-2021 12:58 acetic-acid/CG_SIM/pair/slab/density.dat 7375 06-08-2021 11:41 acetic-acid/CG_SIM/pair/slab/density.xvg --------- ------- 3888911195 3 files ===================================================== Content of ZIP archive acetic-acid-31.zip ===================================================== Archive: acetic-acid-31.zip Length Date Time Name --------- ---------- ----- ---- 8062698166 05-27-2021 21:55 acetic-acid/CG_SIM/pair/slab/dump.txt 98342 05-27-2021 16:07 acetic-acid/CG_SIM/pair/slab/lammps_nb_ACA_ACA.table 4247494 05-27-2021 21:55 acetic-acid/CG_SIM/pair/slab/log.lammps 4252143 05-27-2021 21:56 acetic-acid/CG_SIM/pair/slab/out.dat 1052776 05-27-2021 21:55 acetic-acid/CG_SIM/pair/slab/press.dat 4553538 05-27-2021 21:55 acetic-acid/CG_SIM/pair/slab/press_tens.dat 184413 05-27-2021 21:54 acetic-acid/CG_SIM/pair/slab/state1.restart 184413 05-27-2021 21:55 acetic-acid/CG_SIM/pair/slab/state2.restart 701541 12-06-2021 13:47 acetic-acid/CG_SIM/pair/slab/surf_tens.dat 1017609 05-27-2021 21:55 acetic-acid/CG_SIM/pair/slab/temp.dat 502050 05-27-2021 21:55 acetic-acid/CG_SIM/pair/slab/vol.dat 244106 04-28-2020 03:05 acetic-acid/CG_SIM/pair/table_ACA_ACA.xvg 19841 06-08-2021 12:52 acetic-acid/CG_SIM/pair/upair_slab.dat 0 04-15-2022 12:04 acetic-acid/CG_SIM/pair_bulk/ 379 12-07-2021 14:24 acetic-acid/CG_SIM/pair_bulk/ACA_pair_bulk.o32641224 379 12-07-2021 14:30 acetic-acid/CG_SIM/pair_bulk/ACA_pair_bulk.o32641451 15561 12-07-2021 14:22 acetic-acid/CG_SIM/pair_bulk/acoh.bulk.data 19497 12-07-2021 13:52 acetic-acid/CG_SIM/pair_bulk/acoh.bulk.data.old 1689 12-07-2021 14:28 acetic-acid/CG_SIM/pair_bulk/acoh.bulk.lmp 2085706336 12-07-2021 14:39 acetic-acid/CG_SIM/pair_bulk/dump.txt 38454 12-07-2021 13:51 acetic-acid/CG_SIM/pair_bulk/f_forces.Pair_Interaction.total.ACAACA.dat 54802 12-07-2021 13:52 acetic-acid/CG_SIM/pair_bulk/lammps_nb_ACA_ACA.table 4247053 12-07-2021 14:39 acetic-acid/CG_SIM/pair_bulk/log.lammps 4245574 12-07-2021 14:39 acetic-acid/CG_SIM/pair_bulk/out.dat 1038431 12-07-2021 14:39 acetic-acid/CG_SIM/pair_bulk/press.dat 60480 12-07-2021 14:39 acetic-acid/CG_SIM/pair_bulk/state1.restart 60480 12-07-2021 14:39 acetic-acid/CG_SIM/pair_bulk/state2.restart 137761 12-07-2021 13:52 acetic-acid/CG_SIM/pair_bulk/table_ACA_ACA.xvg 1017677 12-07-2021 14:39 acetic-acid/CG_SIM/pair_bulk/temp.dat 1017382 12-07-2021 14:39 acetic-acid/CG_SIM/pair_bulk/vol.dat 606 07-13-2021 10:58 acetic-acid/CG_SIM/test.btp 280 04-28-2020 03:16 acetic-acid/CG_SIM/top.itp 0 04-15-2022 12:04 acetic-acid/bulk/ 31801380 04-28-2020 03:27 acetic-acid/bulk/ACOH.edr 242688 04-28-2020 03:34 acetic-acid/bulk/ACOH.gro 1606 04-28-2020 03:34 acetic-acid/bulk/ACOH.itp 2586 04-28-2020 03:24 acetic-acid/bulk/ACOH.mdp 105 04-28-2020 03:29 acetic-acid/bulk/ACOH.top 277972 04-28-2020 03:20 acetic-acid/bulk/ACOH.tpr --------- ------- 10209745590 39 files ===================================================== Content of ZIP archive acetic-acid-32.zip ===================================================== Archive: acetic-acid-32.zip Length Date Time Name --------- ---------- ----- ---- 11652028388 04-28-2020 03:27 acetic-acid/bulk/ACOH.trr --------- ------- 11652028388 1 file ===================================================== Content of ZIP archive acetic-acid-33.zip ===================================================== Archive: acetic-acid-33.zip Length Date Time Name --------- ---------- ----- ---- 1942328388 04-28-2020 03:35 acetic-acid/bulk/ACOH_eq.trr --------- ------- 1942328388 1 file ===================================================== Content of ZIP archive acetic-acid-34.zip ===================================================== Archive: acetic-acid-34.zip Length Date Time Name --------- ---------- ----- ---- 9710088388 04-28-2020 03:24 acetic-acid/bulk/ACOH_prod.trr --------- ------- 9710088388 1 file ===================================================== Content of ZIP archive acetic-acid-35.zip ===================================================== Archive: acetic-acid-35.zip Length Date Time Name --------- ---------- ----- ---- 0 04-15-2022 12:04 acetic-acid/bulk/CGFF_050/ 15979 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/L.Pair_Interaction.total.ACAACA.dat 1624 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/L_coeff.Pair_Interaction.total.ACAACA.dat 183062 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/Print_tpr_file.txt 3060 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/S.dat 15979 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/b_forces.Pair_Interaction.total.ACAACA.dat 1624 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 15979 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/b_struct.Pair_Interaction.total.ACAACA.dat 1624 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 18734 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/f_forces.Pair_Interaction.total.ACAACA.dat 1904 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 18734 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/f_struct.Pair_Interaction.total.ACAACA.dat 1904 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 15979 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/g.Pair_Interaction.total.ACAACA.dat 15979 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/g_cnt.Pair_Interaction.total.ACAACA.dat 1624 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 1624 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/inp.txt 41396 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/log.txt 1473 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/out.total.txt 692 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/par.txt 23 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.FF.dat 758878 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.Gtrim.dat 758878 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.Gtrimprec.dat 8488 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.L.dat 1902486 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.M.dat 1893939 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.M2.dat 7 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.Nf.dat 8554 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.b_forces.dat 8587 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.b_struct.dat 3878 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.btrim_forces.dat 3881 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.btrim_struct.dat 2234 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.btrimprec_forces.dat 2231 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.btrimprec_struct.dat 1908176 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.d2M.dat 9043 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.d2b.dat 8592 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.g.dat 8861 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.g_cnt.dat 2280 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.phi1_forces.dat 2259 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.phi1_struct.dat 2201 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.phi2_forces.dat 2187 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.phi2_struct.dat 8861 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/save.rescale.dat 2960 04-28-2020 03:29 acetic-acid/bulk/CGFF_050/summarize_input.txt 0 04-15-2022 12:04 acetic-acid/bulk/CGFF_060/ 24969 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/L.Pair_Interaction.total.ACAACA.dat 2523 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/L_coeff.Pair_Interaction.total.ACAACA.dat 183062 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/Print_tpr_file.txt 3618 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/S.dat 24969 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/b_forces.Pair_Interaction.total.ACAACA.dat 2523 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 24969 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/b_struct.Pair_Interaction.total.ACAACA.dat 2523 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 29274 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/f_forces.Pair_Interaction.total.ACAACA.dat 2958 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 29274 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/f_struct.Pair_Interaction.total.ACAACA.dat 2958 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 24969 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/g.Pair_Interaction.total.ACAACA.dat 24969 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/g_cnt.Pair_Interaction.total.ACAACA.dat 2523 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 2523 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/inp.txt 42078 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/log.txt 1466 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/out.total.txt 692 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/par.txt 23 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.FF.dat 1068681 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.Gtrim.dat 1068681 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.Gtrimprec.dat 8491 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.L.dat 1905733 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.M.dat 1893939 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.M2.dat 7 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.Nf.dat 8579 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.b_forces.dat 8610 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.b_struct.dat 4616 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.btrim_forces.dat 4617 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.btrim_struct.dat 2674 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.btrimprec_forces.dat 2682 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.btrimprec_struct.dat 1913728 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.d2M.dat 9150 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.d2b.dat 8608 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.g.dat 8919 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.g_cnt.dat 2772 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.phi1_forces.dat 2778 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.phi1_struct.dat 2642 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.phi2_forces.dat 2634 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.phi2_struct.dat 8919 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/save.rescale.dat 2960 04-28-2020 03:29 acetic-acid/bulk/CGFF_060/summarize_input.txt 0 04-15-2022 12:04 acetic-acid/bulk/CGFF_070/ 26999 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/L.Pair_Interaction.total.ACAACA.dat 2726 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/L_coeff.Pair_Interaction.total.ACAACA.dat 183062 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/Print_tpr_file.txt 3744 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/S.dat 26999 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/b_forces.Pair_Interaction.total.ACAACA.dat 2726 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 26999 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/b_struct.Pair_Interaction.total.ACAACA.dat 2726 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 31684 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/f_forces.Pair_Interaction.total.ACAACA.dat 3197 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 31807 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/f_struct.Pair_Interaction.total.ACAACA.dat 3202 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 26999 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/g.Pair_Interaction.total.ACAACA.dat 26999 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/g_cnt.Pair_Interaction.total.ACAACA.dat 2726 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 2726 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/inp.txt 42232 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/log.txt 1465 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/out.total.txt 692 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/par.txt 23 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.FF.dat 1147160 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.Gtrim.dat 1147160 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.Gtrimprec.dat 8474 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.L.dat 1907120 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.M.dat 1893939 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.M2.dat 7 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.Nf.dat 8588 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.b_forces.dat 8621 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.b_struct.dat 4786 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.btrim_forces.dat 4789 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.btrim_struct.dat 2807 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.btrimprec_forces.dat 2788 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.btrimprec_struct.dat 1915069 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.d2M.dat 9159 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.d2b.dat 8622 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.g.dat 8934 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.g_cnt.dat 2911 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.phi1_forces.dat 2810 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.phi1_struct.dat 2763 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.phi2_forces.dat 2767 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.phi2_struct.dat 8934 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/save.rescale.dat 2960 04-28-2020 03:35 acetic-acid/bulk/CGFF_070/summarize_input.txt 0 04-15-2022 12:04 acetic-acid/bulk/CGFF_080/ 24099 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/L.Pair_Interaction.total.ACAACA.dat 2436 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/L_coeff.Pair_Interaction.total.ACAACA.dat 183062 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/Print_tpr_file.txt 3564 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/S.dat 24099 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/b_forces.Pair_Interaction.total.ACAACA.dat 2436 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 24099 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/b_struct.Pair_Interaction.total.ACAACA.dat 2436 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 28254 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/f_forces.Pair_Interaction.total.ACAACA.dat 2856 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 28254 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/f_struct.Pair_Interaction.total.ACAACA.dat 2856 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 24099 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/g.Pair_Interaction.total.ACAACA.dat 24099 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/g_cnt.Pair_Interaction.total.ACAACA.dat 2436 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 2436 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/inp.txt 42012 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/log.txt 1465 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/out.total.txt 692 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/par.txt 23 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.FF.dat 1038106 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.Gtrim.dat 1038106 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.Gtrimprec.dat 8474 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.L.dat 1906226 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.M.dat 1893939 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.M2.dat 7 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.Nf.dat 8585 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.b_forces.dat 8614 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.b_struct.dat 4553 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.btrim_forces.dat 4552 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.btrim_struct.dat 2665 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.btrimprec_forces.dat 2663 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.btrimprec_struct.dat 1913180 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.d2M.dat 9117 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.d2b.dat 8619 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.g.dat 8927 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.g_cnt.dat 2797 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.phi1_forces.dat 2772 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.phi1_struct.dat 2626 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.phi2_forces.dat 2624 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.phi2_struct.dat 8927 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/save.rescale.dat 2960 04-28-2020 03:35 acetic-acid/bulk/CGFF_080/summarize_input.txt 0 04-15-2022 12:04 acetic-acid/bulk/CGFF_pair/ 32799 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/L.Pair_Interaction.total.ACAACA.dat 3306 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/L_coeff.Pair_Interaction.total.ACAACA.dat 183062 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/Print_tpr_file.txt 2052 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/S.dat 32799 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/b_forces.Pair_Interaction.total.ACAACA.dat 3306 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 32799 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/b_struct.Pair_Interaction.total.ACAACA.dat 3306 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 38454 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/f_forces.Pair_Interaction.total.ACAACA.dat 3876 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 38454 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/f_struct.Pair_Interaction.total.ACAACA.dat 3876 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 32799 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/g.Pair_Interaction.total.ACAACA.dat 32799 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/g_cnt.Pair_Interaction.total.ACAACA.dat 3306 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3306 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/g_coeff.Pair_Interaction.total.ACAACA.dat 55 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/inp.txt 15177 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/log.txt 909 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/out.total.txt 565 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/par.txt 23 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.FF.dat 334102 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.Gtrim.dat 334102 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.Gtrimprec.dat 2755 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.L.dat 205634 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.M.dat 201115 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.M2.dat 7 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.Nf.dat 2812 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.b_forces.dat 2842 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.b_struct.dat 2567 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.btrim_forces.dat 2567 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.btrim_struct.dat 1464 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.btrimprec_forces.dat 1457 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.btrimprec_struct.dat 207582 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.d2M.dat 3144 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.d2b.dat 2854 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.g.dat 3075 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.g_cnt.dat 1512 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.phi1_forces.dat 1507 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.phi1_struct.dat 1444 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.phi2_forces.dat 1443 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.phi2_struct.dat 3075 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/save.rescale.dat 2418 04-28-2020 03:24 acetic-acid/bulk/CGFF_pair/summarize_input.txt 547 04-28-2020 03:35 acetic-acid/bulk/CG_ACOH.btp 46554 04-28-2020 03:34 acetic-acid/bulk/CG_ACOH.gro 1606 04-28-2020 03:29 acetic-acid/bulk/CG_ACOH.itp 2401 04-28-2020 03:20 acetic-acid/bulk/CG_ACOH.mdp 891 04-28-2020 03:27 acetic-acid/bulk/CG_ACOH.top 34672 04-28-2020 03:35 acetic-acid/bulk/CG_ACOH.tpr 1217348692 04-28-2020 03:34 acetic-acid/bulk/CG_ACOH.trr 3799770516 04-28-2020 03:29 acetic-acid/bulk/CG_ACOH_050.btj 3799770516 08-19-2021 15:04 acetic-acid/bulk/CG_ACOH_055.btj --------- ------- 8852719271 285 files ===================================================== Content of ZIP archive acetic-acid-36.zip ===================================================== Archive: acetic-acid-36.zip Length Date Time Name --------- ---------- ----- ---- 3799770516 04-28-2020 03:31 acetic-acid/bulk/CG_ACOH_060.btj 3799770516 04-28-2020 03:33 acetic-acid/bulk/CG_ACOH_070.btj --------- ------- 7599541032 2 files ===================================================== Content of ZIP archive acetic-acid-37.zip ===================================================== Archive: acetic-acid-37.zip Length Date Time Name --------- ---------- ----- ---- 3799770516 04-28-2020 03:32 acetic-acid/bulk/CG_ACOH_080.btj 3799770516 08-19-2021 15:07 acetic-acid/bulk/CG_ACOH_090.btj 6870 08-19-2021 15:09 acetic-acid/bulk/LDPDF_055.dat 6870 08-19-2021 15:10 acetic-acid/bulk/LDPDF_070.dat 6869 08-19-2021 15:12 acetic-acid/bulk/LDPDF_090.dat 23 04-28-2020 03:20 acetic-acid/bulk/LD_info_L050.txt 23 04-28-2020 03:29 acetic-acid/bulk/LD_info_L053.txt 23 08-19-2021 14:56 acetic-acid/bulk/LD_info_L055.txt 23 04-28-2020 03:24 acetic-acid/bulk/LD_info_L060.txt 23 04-28-2020 03:29 acetic-acid/bulk/LD_info_L070.txt 23 04-28-2020 03:35 acetic-acid/bulk/LD_info_L080.txt 23 08-19-2021 14:57 acetic-acid/bulk/LD_info_L090.txt 1721 08-19-2021 15:07 acetic-acid/bulk/MetOHWALLldc.o30194823 217 04-28-2020 03:34 acetic-acid/bulk/PRhocurve.bw.0.0001.dat 941122 04-28-2020 03:20 acetic-acid/bulk/PV.xvg 1052 11-22-2021 12:18 acetic-acid/bulk/PVcurve.bw.0.1.dat 531 11-22-2021 12:18 acetic-acid/bulk/PVcurve.bw.0.2.dat 372096 04-28-2020 03:34 acetic-acid/bulk/confout.gro 3674544 04-28-2020 03:27 acetic-acid/bulk/copy.log 780697 11-22-2021 12:14 acetic-acid/bulk/density.xvg 0 04-15-2022 12:04 acetic-acid/bulk/emin/ 25459888 04-28-2020 03:29 acetic-acid/bulk/emin/ACOH.edr 242688 04-28-2020 03:29 acetic-acid/bulk/emin/ACOH.gro 1606 04-28-2020 03:29 acetic-acid/bulk/emin/ACOH.itp 2637 04-28-2020 03:29 acetic-acid/bulk/emin/ACOH.mdp 105 04-28-2020 03:29 acetic-acid/bulk/emin/ACOH.top 277972 04-28-2020 03:29 acetic-acid/bulk/emin/ACOH.tpr 20977380 04-28-2020 03:29 acetic-acid/bulk/emin/ACOH.trr 242688 04-28-2020 03:29 acetic-acid/bulk/emin/confout.gro 35755017 04-28-2020 03:29 acetic-acid/bulk/emin/md.log 11730 04-28-2020 03:29 acetic-acid/bulk/emin/mdout.mdp 961 08-19-2021 15:03 acetic-acid/bulk/global_density_pdf.dat 78 04-28-2020 03:27 acetic-acid/bulk/hilo_LDs_050.dat 78 08-19-2021 15:04 acetic-acid/bulk/hilo_LDs_055.dat 78 04-28-2020 03:29 acetic-acid/bulk/hilo_LDs_060.dat 78 04-28-2020 03:34 acetic-acid/bulk/hilo_LDs_070.dat 78 04-28-2020 03:20 acetic-acid/bulk/hilo_LDs_080.dat 78 08-19-2021 15:07 acetic-acid/bulk/hilo_LDs_090.dat 341 04-28-2020 03:34 acetic-acid/bulk/map.top 16110961 04-28-2020 03:34 acetic-acid/bulk/md.log 11728 04-28-2020 03:27 acetic-acid/bulk/mdout.mdp 1674 11-22-2021 12:40 acetic-acid/bulk/new_EoS_and_fit.dat 0 04-15-2022 12:04 acetic-acid/bulk/new_prod/ 27101408 09-27-2020 14:34 acetic-acid/bulk/new_prod/ACOH.edr 372096 09-25-2020 13:32 acetic-acid/bulk/new_prod/ACOH.gro 1606 09-25-2020 13:33 acetic-acid/bulk/new_prod/ACOH.itp 2587 09-25-2020 13:34 acetic-acid/bulk/new_prod/ACOH.mdp 105 09-25-2020 13:33 acetic-acid/bulk/new_prod/ACOH.top 277972 09-25-2020 13:34 acetic-acid/bulk/new_prod/ACOH.tpr --------- ------- 7732187400 49 files ===================================================== Content of ZIP archive acetic-acid-38.zip ===================================================== Archive: acetic-acid-38.zip Length Date Time Name --------- ---------- ----- ---- 9710088388 09-27-2020 14:34 acetic-acid/bulk/new_prod/ACOH.trr --------- ------- 9710088388 1 file ===================================================== Content of ZIP archive acetic-acid-39.zip ===================================================== Archive: acetic-acid-39.zip Length Date Time Name --------- ---------- ----- ---- 272 09-28-2020 14:00 acetic-acid/bulk/new_prod/PRhocurve.bw.0.0001.dat 941216 09-28-2020 13:58 acetic-acid/bulk/new_prod/PV.xvg 12494 09-27-2020 14:34 acetic-acid/bulk/new_prod/bulk_ACOH.o22678516 372096 09-27-2020 14:34 acetic-acid/bulk/new_prod/confout.gro 650702 11-22-2021 12:16 acetic-acid/bulk/new_prod/density.xvg 13430224 09-27-2020 14:34 acetic-acid/bulk/new_prod/md.log 453 09-28-2020 14:00 acetic-acid/bulk/new_prod/new_EoS_and_fit.dat 261272 09-27-2020 14:34 acetic-acid/bulk/new_prod/state.cpt 261272 09-27-2020 14:34 acetic-acid/bulk/new_prod/state_prev.cpt 625694 11-22-2021 12:16 acetic-acid/bulk/new_prod/vol.xvg 446 09-28-2020 14:00 acetic-acid/bulk/new_rho_EoS_and_fit.dat 0 04-15-2022 12:04 acetic-acid/bulk/newtpr/ 58372 04-01-2021 13:40 acetic-acid/bulk/newtpr/CG_ACOH.gro 2401 04-01-2021 13:39 acetic-acid/bulk/newtpr/CG_ACOH.mdp 892 04-01-2021 13:40 acetic-acid/bulk/newtpr/CG_ACOH.top 114 04-01-2021 13:40 acetic-acid/bulk/newtpr/CG_ACOH_1.gro 64528 04-01-2021 13:41 acetic-acid/bulk/newtpr/cg_1296.tpr 769083 11-22-2021 12:20 acetic-acid/bulk/pressure.xvg 17313 01-25-2021 13:13 acetic-acid/bulk/rdf.dat 21246 04-28-2020 03:35 acetic-acid/bulk/rdf.xvg 5868 04-28-2020 03:29 acetic-acid/bulk/rdf2.dat 261232 04-28-2020 03:35 acetic-acid/bulk/state.cpt 261232 04-28-2020 03:34 acetic-acid/bulk/state_prev.cpt 750680 11-22-2021 12:13 acetic-acid/bulk/vol.xvg 0 04-15-2022 11:45 acetic-acid/figs/ 0 04-15-2022 12:04 acetic-acid/figs/AAProps/ 49607 08-19-2021 15:28 acetic-acid/figs/AAProps/BulkFig.agr 38032 12-06-2021 12:56 acetic-acid/figs/AAProps/BulkFig.eps 33859 08-19-2021 15:31 acetic-acid/figs/AAProps/BulkFig.png 824 08-19-2021 14:53 acetic-acid/figs/AAProps/lucy_055.dat 1044 08-19-2021 14:53 acetic-acid/figs/AAProps/lucy_070.dat 1343 08-19-2021 14:53 acetic-acid/figs/AAProps/lucy_090.dat 0 04-15-2022 12:04 acetic-acid/figs/DensProfFig/ 104126 08-19-2021 14:49 acetic-acid/figs/DensProfFig/SlabDensComp.agr 51811 08-19-2021 14:49 acetic-acid/figs/DensProfFig/SlabDensComp.png 104124 08-19-2021 14:50 acetic-acid/figs/DensProfFig/SlabDensComp2.agr 38760 12-06-2021 12:57 acetic-acid/figs/DensProfFig/SlabDensComp2.eps 43887 08-19-2021 14:50 acetic-acid/figs/DensProfFig/SlabDensComp2.png 0 04-15-2022 12:04 acetic-acid/figs/EoSFig/ 112064 08-18-2021 12:26 acetic-acid/figs/EoSFig/Dens_Compress.agr 18915 12-06-2021 12:59 acetic-acid/figs/EoSFig/Dens_Compress.eps 24245 08-18-2021 12:27 acetic-acid/figs/EoSFig/Dens_Compress.png 57527 01-25-2021 15:01 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Archive: acetic-acid-40.zip Length Date Time Name --------- ---------- ----- ---- 42714436612 04-28-2020 02:01 acetic-acid/slab/ACOH.full.trr --------- ------- 42714436612 1 file ===================================================== Content of ZIP archive acetic-acid-41.zip ===================================================== Archive: acetic-acid-41.zip Length Date Time Name --------- ---------- ----- ---- 485328 04-28-2020 01:47 acetic-acid/slab/ACOH.gro 1606 04-28-2020 01:47 acetic-acid/slab/ACOH.itp 2655 04-28-2020 00:36 acetic-acid/slab/ACOH.mdp 20823824 04-28-2020 02:19 acetic-acid/slab/ACOH.part0002.edr --------- ------- 21313413 4 files ===================================================== Content of ZIP archive acetic-acid-42.zip ===================================================== Archive: acetic-acid-42.zip Length Date Time Name --------- ---------- ----- ---- 19721285128 04-28-2020 01:47 acetic-acid/slab/ACOH.part0002.trr --------- ------- 19721285128 1 file ===================================================== Content of ZIP archive acetic-acid-43.zip ===================================================== Archive: acetic-acid-43.zip Length Date Time Name --------- ---------- ----- ---- 106 04-28-2020 01:12 acetic-acid/slab/ACOH.top 536788 04-28-2020 00:30 acetic-acid/slab/ACOH.tpr --------- ------- 536894 2 files ===================================================== Content of ZIP archive acetic-acid-44.zip ===================================================== Archive: acetic-acid-44.zip Length Date Time Name --------- ---------- ----- ---- 22993151484 04-28-2020 00:59 acetic-acid/slab/ACOH.trr --------- ------- 22993151484 1 file ===================================================== Content of ZIP archive acetic-acid-45.zip ===================================================== Archive: acetic-acid-45.zip Length Date Time Name --------- ---------- ----- ---- 38831376612 04-28-2020 00:50 acetic-acid/slab/ACOH.whole.trr --------- ------- 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acetic-acid/slab/CGFF_LD_050/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 1682 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/inp.txt 49740 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/log.txt 1466 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/out.total.txt 697 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/par.txt 23 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.FF.dat 773714 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.Gtrim.dat 773714 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.Gtrimprec.dat 10387 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.L.dat 2844093 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.M.dat 2837289 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.M2.dat 7 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.Nf.dat 10456 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.b_forces.dat 10488 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.b_struct.dat 3926 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.btrim_forces.dat 3928 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.btrim_struct.dat 2266 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.btrimprec_forces.dat 2268 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.btrimprec_struct.dat 2851833 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.d2M.dat 10941 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.d2b.dat 10490 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.g.dat 10797 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.g_cnt.dat 2367 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.phi1_forces.dat 2322 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.phi1_struct.dat 2219 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.phi2_forces.dat 2238 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.phi2_struct.dat 10797 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/save.rescale.dat 2960 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_050/summarize_input.txt 0 04-15-2022 12:04 acetic-acid/slab/CGFF_LD_055/ 22069 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/L.Pair_Interaction.total.ACAACA.dat 2233 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/Print_tpr_file.txt 3438 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/S.dat 22069 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/b_forces.Pair_Interaction.total.ACAACA.dat 2233 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 22069 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/b_struct.Pair_Interaction.total.ACAACA.dat 2233 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 25874 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/f_forces.Pair_Interaction.total.ACAACA.dat 2618 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 25874 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/f_struct.Pair_Interaction.total.ACAACA.dat 2618 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 22069 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/g.Pair_Interaction.total.ACAACA.dat 22069 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/g_cnt.Pair_Interaction.total.ACAACA.dat 2233 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 2233 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/inp.txt 50158 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/log.txt 1466 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/out.total.txt 698 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/par.txt 23 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.FF.dat 957767 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.Gtrim.dat 957767 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.Gtrimprec.dat 10392 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.L.dat 2845163 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.M.dat 2837289 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.M2.dat 7 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.Nf.dat 10470 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.b_forces.dat 10502 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.b_struct.dat 4377 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.btrim_forces.dat 4379 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.btrim_struct.dat 2541 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.btrimprec_forces.dat 2541 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.btrimprec_struct.dat 2855193 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.d2M.dat 11006 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.d2b.dat 10503 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.g.dat 10835 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.g_cnt.dat 2642 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.phi1_forces.dat 2634 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.phi1_struct.dat 2468 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.phi2_forces.dat 2489 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.phi2_struct.dat 10835 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/save.rescale.dat 2962 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_055/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_060/ 25839 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/L.Pair_Interaction.total.ACAACA.dat 2610 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/Print_tpr_file.txt 3672 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/S.dat 25839 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/b_forces.Pair_Interaction.total.ACAACA.dat 2610 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 25839 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/b_struct.Pair_Interaction.total.ACAACA.dat 2610 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 30294 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/f_forces.Pair_Interaction.total.ACAACA.dat 3060 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 30294 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/f_struct.Pair_Interaction.total.ACAACA.dat 3060 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 25839 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/g.Pair_Interaction.total.ACAACA.dat 25839 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/g_cnt.Pair_Interaction.total.ACAACA.dat 2610 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 2610 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/inp.txt 50444 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/log.txt 1466 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/out.total.txt 697 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/par.txt 23 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.FF.dat 1095508 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.Gtrim.dat 1095508 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.Gtrimprec.dat 10390 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.L.dat 2846163 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.M.dat 2837289 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.M2.dat 7 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.Nf.dat 10482 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.b_forces.dat 10514 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.b_struct.dat 4688 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.btrim_forces.dat 4690 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.btrim_struct.dat 2718 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.btrimprec_forces.dat 2719 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.btrimprec_struct.dat 2857754 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.d2M.dat 11053 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.d2b.dat 10510 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.g.dat 10865 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.g_cnt.dat 2836 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.phi1_forces.dat 2831 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.phi1_struct.dat 2674 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.phi2_forces.dat 2669 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.phi2_struct.dat 10865 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/save.rescale.dat 2960 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_060/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_065/ 29029 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/L.Pair_Interaction.total.ACAACA.dat 2929 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/Print_tpr_file.txt 3870 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/S.dat 29029 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/b_forces.Pair_Interaction.total.ACAACA.dat 2929 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 29029 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/b_struct.Pair_Interaction.total.ACAACA.dat 2929 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 34034 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/f_forces.Pair_Interaction.total.ACAACA.dat 3434 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 34034 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/f_struct.Pair_Interaction.total.ACAACA.dat 3434 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 29029 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/g.Pair_Interaction.total.ACAACA.dat 29029 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/g_cnt.Pair_Interaction.total.ACAACA.dat 2929 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 2929 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/inp.txt 50686 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/log.txt 1466 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/out.total.txt 698 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/par.txt 23 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.FF.dat 1219883 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.Gtrim.dat 1219883 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.Gtrimprec.dat 10374 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.L.dat 2847348 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.M.dat 2837289 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.M2.dat 7 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.Nf.dat 10492 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.b_forces.dat 10523 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.b_struct.dat 4951 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.btrim_forces.dat 4952 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.btrim_struct.dat 2887 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.btrimprec_forces.dat 2884 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.btrimprec_struct.dat 2860002 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.d2M.dat 11086 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.d2b.dat 10522 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.g.dat 10885 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.g_cnt.dat 3020 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.phi1_forces.dat 2978 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.phi1_struct.dat 2833 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.phi2_forces.dat 2852 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.phi2_struct.dat 10885 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/save.rescale.dat 2962 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_065/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_070/ 31639 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/L.Pair_Interaction.total.ACAACA.dat 3190 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/Print_tpr_file.txt 4032 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/S.dat 31639 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/b_forces.Pair_Interaction.total.ACAACA.dat 3190 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 31639 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/b_struct.Pair_Interaction.total.ACAACA.dat 3190 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 37094 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/f_forces.Pair_Interaction.total.ACAACA.dat 3740 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 37106 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/f_struct.Pair_Interaction.total.ACAACA.dat 3740 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 31639 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/g.Pair_Interaction.total.ACAACA.dat 31639 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/g_cnt.Pair_Interaction.total.ACAACA.dat 3190 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3190 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/inp.txt 50884 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/log.txt 1465 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/out.total.txt 697 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/par.txt 23 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.FF.dat 1326280 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.Gtrim.dat 1326280 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.Gtrimprec.dat 10374 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.L.dat 2848192 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.M.dat 2837289 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.M2.dat 7 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.Nf.dat 10503 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.b_forces.dat 10532 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.b_struct.dat 5169 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.btrim_forces.dat 5168 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.btrim_struct.dat 3055 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.btrimprec_forces.dat 3044 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.btrimprec_struct.dat 2861860 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.d2M.dat 11100 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.d2b.dat 10535 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.g.dat 10896 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.g_cnt.dat 3163 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.phi1_forces.dat 3150 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.phi1_struct.dat 2990 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.phi2_forces.dat 2989 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.phi2_struct.dat 10896 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/save.rescale.dat 2960 04-28-2020 00:31 acetic-acid/slab/CGFF_LD_070/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_072/ 32509 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/L.Pair_Interaction.total.ACAACA.dat 3277 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/Print_tpr_file.txt 4086 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/S.dat 32509 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/b_forces.Pair_Interaction.total.ACAACA.dat 3277 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 32509 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/b_struct.Pair_Interaction.total.ACAACA.dat 3277 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 38123 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/f_forces.Pair_Interaction.total.ACAACA.dat 3842 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 38183 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/f_struct.Pair_Interaction.total.ACAACA.dat 3844 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 32509 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/g.Pair_Interaction.total.ACAACA.dat 32509 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/g_cnt.Pair_Interaction.total.ACAACA.dat 3277 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3277 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/inp.txt 50950 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/log.txt 1465 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/out.total.txt 698 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/par.txt 23 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.FF.dat 1362577 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.Gtrim.dat 1362577 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.Gtrimprec.dat 10374 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.L.dat 2848408 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.M.dat 2837289 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.M2.dat 7 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.Nf.dat 10508 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.b_forces.dat 10538 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.b_struct.dat 5243 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.btrim_forces.dat 5243 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.btrim_struct.dat 3097 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.btrimprec_forces.dat 3104 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.btrimprec_struct.dat 2862471 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.d2M.dat 11101 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.d2b.dat 10539 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.g.dat 10901 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.g_cnt.dat 3235 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.phi1_forces.dat 3205 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.phi1_struct.dat 3020 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.phi2_forces.dat 3048 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.phi2_struct.dat 10901 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/save.rescale.dat 2962 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_072/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_075/ 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/L.Pair_Interaction.total.ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/Print_tpr_file.txt 4122 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/S.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/b_forces.Pair_Interaction.total.ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/b_struct.Pair_Interaction.total.ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 38794 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/f_forces.Pair_Interaction.total.ACAACA.dat 3910 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 38794 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/f_struct.Pair_Interaction.total.ACAACA.dat 3910 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/g.Pair_Interaction.total.ACAACA.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/g_cnt.Pair_Interaction.total.ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/inp.txt 50994 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/log.txt 1465 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/out.total.txt 698 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/par.txt 23 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.FF.dat 1386811 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.Gtrim.dat 1386811 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.Gtrimprec.dat 10374 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.L.dat 2848417 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.M.dat 2837289 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.M2.dat 7 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.Nf.dat 10512 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.b_forces.dat 10542 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.b_struct.dat 5293 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.btrim_forces.dat 5293 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.btrim_struct.dat 3140 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.btrimprec_forces.dat 3135 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.btrimprec_struct.dat 2862959 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.d2M.dat 11101 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.d2b.dat 10544 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.g.dat 10904 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.g_cnt.dat 3281 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.phi1_forces.dat 3265 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.phi1_struct.dat 3056 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.phi2_forces.dat 3068 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.phi2_struct.dat 10904 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/save.rescale.dat 2962 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_075/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_080/ 34249 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/L.Pair_Interaction.total.ACAACA.dat 3451 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/Print_tpr_file.txt 4194 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/S.dat 34249 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/b_forces.Pair_Interaction.total.ACAACA.dat 3451 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 34249 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/b_struct.Pair_Interaction.total.ACAACA.dat 3451 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 40154 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/f_forces.Pair_Interaction.total.ACAACA.dat 4046 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 40154 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/f_struct.Pair_Interaction.total.ACAACA.dat 4046 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 34249 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/g.Pair_Interaction.total.ACAACA.dat 34249 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/g_cnt.Pair_Interaction.total.ACAACA.dat 3451 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3451 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/inp.txt 51082 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/log.txt 1465 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/out.total.txt 697 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/par.txt 23 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.FF.dat 1436027 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.Gtrim.dat 1436027 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.Gtrimprec.dat 10374 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.L.dat 2848506 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.M.dat 2837289 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.M2.dat 7 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.Nf.dat 10517 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.b_forces.dat 10548 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.b_struct.dat 5390 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.btrim_forces.dat 5391 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.btrim_struct.dat 3221 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.btrimprec_forces.dat 3218 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.btrimprec_struct.dat 2863761 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.d2M.dat 11093 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.d2b.dat 10552 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.g.dat 10913 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.g_cnt.dat 3354 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.phi1_forces.dat 3343 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.phi1_struct.dat 3106 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.phi2_forces.dat 3114 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.phi2_struct.dat 10913 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/save.rescale.dat 2960 04-28-2020 01:18 acetic-acid/slab/CGFF_LD_080/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_085/ 34539 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/L.Pair_Interaction.total.ACAACA.dat 3480 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/Print_tpr_file.txt 4212 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/S.dat 34539 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/b_forces.Pair_Interaction.total.ACAACA.dat 3480 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 34539 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/b_struct.Pair_Interaction.total.ACAACA.dat 3480 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 40494 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/f_forces.Pair_Interaction.total.ACAACA.dat 4080 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 40494 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/f_struct.Pair_Interaction.total.ACAACA.dat 4080 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 34539 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/g.Pair_Interaction.total.ACAACA.dat 34539 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/g_cnt.Pair_Interaction.total.ACAACA.dat 3480 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3480 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/inp.txt 51104 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/log.txt 1464 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/out.total.txt 698 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/par.txt 23 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.FF.dat 1447982 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.Gtrim.dat 1447982 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.Gtrimprec.dat 10374 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.L.dat 2848273 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.M.dat 2837289 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.M2.dat 7 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.Nf.dat 10513 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.b_forces.dat 10544 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.b_struct.dat 5409 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.btrim_forces.dat 5410 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.btrim_struct.dat 3240 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.btrimprec_forces.dat 3250 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.btrimprec_struct.dat 2864007 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.d2M.dat 11079 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.d2b.dat 10557 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.g.dat 10925 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.g_cnt.dat 3373 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.phi1_forces.dat 3379 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.phi1_struct.dat 3113 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.phi2_forces.dat 3136 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.phi2_struct.dat 10925 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/save.rescale.dat 2962 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_085/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_090/ 35119 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/L.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/Print_tpr_file.txt 4248 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/S.dat 35119 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/b_forces.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/b_struct.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 41174 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/f_forces.Pair_Interaction.total.ACAACA.dat 4148 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 41181 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/f_struct.Pair_Interaction.total.ACAACA.dat 4148 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/g.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/g_cnt.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/inp.txt 51148 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/log.txt 1463 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/out.total.txt 698 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/par.txt 23 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.FF.dat 1472830 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.Gtrim.dat 1472830 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.Gtrimprec.dat 10374 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.L.dat 2848220 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.M.dat 2837289 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.M2.dat 7 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.Nf.dat 10513 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.b_forces.dat 10545 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.b_struct.dat 5455 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.btrim_forces.dat 5457 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.btrim_struct.dat 3290 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.btrimprec_forces.dat 3286 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.btrimprec_struct.dat 2864434 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.d2M.dat 11065 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.d2b.dat 10562 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.g.dat 10931 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.g_cnt.dat 3414 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.phi1_forces.dat 3407 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.phi1_struct.dat 3167 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.phi2_forces.dat 3162 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.phi2_struct.dat 10931 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/save.rescale.dat 2960 04-28-2020 00:59 acetic-acid/slab/CGFF_LD_090/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_095/ 35119 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/L.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/Print_tpr_file.txt 4248 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/S.dat 35119 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/b_forces.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/b_struct.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 41174 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/f_forces.Pair_Interaction.total.ACAACA.dat 4148 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 41174 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/f_struct.Pair_Interaction.total.ACAACA.dat 4148 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/g.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/g_cnt.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/inp.txt 51148 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/log.txt 1463 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/out.total.txt 698 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/par.txt 23 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.FF.dat 1472490 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.Gtrim.dat 1472490 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.Gtrimprec.dat 10375 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.L.dat 2848039 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.M.dat 2837289 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.M2.dat 7 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.Nf.dat 10511 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.b_forces.dat 10541 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.b_struct.dat 5453 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.btrim_forces.dat 5453 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.btrim_struct.dat 3298 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.btrimprec_forces.dat 3297 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.btrimprec_struct.dat 2864481 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.d2M.dat 11050 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.d2b.dat 10562 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.g.dat 10935 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.g_cnt.dat 3437 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.phi1_forces.dat 3427 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.phi1_struct.dat 3154 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.phi2_forces.dat 3153 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.phi2_struct.dat 10935 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/save.rescale.dat 2962 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_095/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_100/ 35409 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/L.Pair_Interaction.total.ACAACA.dat 3567 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/Print_tpr_file.txt 4266 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/S.dat 35409 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/b_forces.Pair_Interaction.total.ACAACA.dat 3567 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 35409 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/b_struct.Pair_Interaction.total.ACAACA.dat 3567 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 41514 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/f_forces.Pair_Interaction.total.ACAACA.dat 4182 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 41558 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/f_struct.Pair_Interaction.total.ACAACA.dat 4184 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 35409 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/g.Pair_Interaction.total.ACAACA.dat 35409 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/g_cnt.Pair_Interaction.total.ACAACA.dat 3567 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3567 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/inp.txt 51170 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/log.txt 1463 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/out.total.txt 698 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/par.txt 23 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.FF.dat 1484957 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.Gtrim.dat 1484957 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.Gtrimprec.dat 10376 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.L.dat 2847982 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.M.dat 2837289 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.M2.dat 7 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.Nf.dat 10512 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.b_forces.dat 10540 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.b_struct.dat 5477 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.btrim_forces.dat 5475 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.btrim_struct.dat 3315 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.btrimprec_forces.dat 3308 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.btrimprec_struct.dat 2864665 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.d2M.dat 11040 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.d2b.dat 10560 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.g.dat 10941 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.g_cnt.dat 3450 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.phi1_forces.dat 3439 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.phi1_struct.dat 3176 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.phi2_forces.dat 3173 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.phi2_struct.dat 10941 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/save.rescale.dat 2956 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_100/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_050/ 16559 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/L.LD_Gradient.total.Grad_ACAACA.dat 16559 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/L.Pair_Interaction.total.ACAACA.dat 1682 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 1682 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/Print_tpr_file.txt 4142 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/S.dat 16559 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_forces.LD_Gradient.total.Grad_ACAACA.dat 16559 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_forces.Pair_Interaction.total.ACAACA.dat 1682 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 1682 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 16559 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_struct.LD_Gradient.total.Grad_ACAACA.dat 16559 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_struct.Pair_Interaction.total.ACAACA.dat 1682 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 1682 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 19414 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_forces.LD_Gradient.total.Grad_ACAACA.dat 19414 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_forces.Pair_Interaction.total.ACAACA.dat 1972 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 1972 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 19414 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_struct.LD_Gradient.total.Grad_ACAACA.dat 19414 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_struct.Pair_Interaction.total.ACAACA.dat 1972 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 1972 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 16559 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g.LD_Gradient.total.Grad_ACAACA.dat 16559 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g.Pair_Interaction.total.ACAACA.dat 16559 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 16559 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g_cnt.Pair_Interaction.total.ACAACA.dat 1682 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 1682 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 1682 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 1682 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/inp.txt 84299 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/log.txt 2075 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/out.total.txt 829 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/par.txt 23 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.FF.dat 1410371 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.Gtrim.dat 1401002 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.Gtrimprec.dat 18019 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.L.dat 8545379 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.M.dat 8529869 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.M2.dat 7 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.Nf.dat 18221 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.b_forces.dat 18528 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.b_struct.dat 5406 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.btrim_forces.dat 5340 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.btrim_struct.dat 2921 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.btrimprec_forces.dat 3041 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.btrimprec_struct.dat 8567216 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.d2M.dat 19153 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.d2b.dat 18125 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.g.dat 18492 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.g_cnt.dat 2935 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.phi1_forces.dat 3041 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.phi1_struct.dat 3159 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.phi2_forces.dat 3132 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.phi2_struct.dat 18492 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/save.rescale.dat 3500 04-28-2020 02:04 acetic-acid/slab/CGFF_LD_GRAD_050/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_055/ 22069 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/L.LD_Gradient.total.Grad_ACAACA.dat 22069 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/L.Pair_Interaction.total.ACAACA.dat 2233 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 2233 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/Print_tpr_file.txt 4827 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/S.dat 22069 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_forces.LD_Gradient.total.Grad_ACAACA.dat 22069 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_forces.Pair_Interaction.total.ACAACA.dat 2233 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 2233 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 22069 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_struct.LD_Gradient.total.Grad_ACAACA.dat 22069 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_struct.Pair_Interaction.total.ACAACA.dat 2233 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 2233 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 25874 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_forces.LD_Gradient.total.Grad_ACAACA.dat 25874 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_forces.Pair_Interaction.total.ACAACA.dat 2618 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 2618 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 25874 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_struct.LD_Gradient.total.Grad_ACAACA.dat 25874 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_struct.Pair_Interaction.total.ACAACA.dat 2618 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 2618 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 22069 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g.LD_Gradient.total.Grad_ACAACA.dat 22069 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g.Pair_Interaction.total.ACAACA.dat 22069 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 22069 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g_cnt.Pair_Interaction.total.ACAACA.dat 2233 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 2233 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 2233 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 2233 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/inp.txt 85135 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/log.txt 2073 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/out.total.txt 831 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/par.txt 23 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.FF.dat 1923607 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.Gtrim.dat 1909742 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.Gtrimprec.dat 18029 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.L.dat 8550791 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.M.dat 8530256 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.M2.dat 7 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.Nf.dat 18276 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.b_forces.dat 18548 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.b_struct.dat 6335 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.btrim_forces.dat 6253 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.btrim_struct.dat 3430 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.btrimprec_forces.dat 3572 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.btrimprec_struct.dat 8582180 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.d2M.dat 19394 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.d2b.dat 18147 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.g.dat 18568 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.g_cnt.dat 3476 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.phi1_forces.dat 3580 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.phi1_struct.dat 3774 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.phi2_forces.dat 3649 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.phi2_struct.dat 18568 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/save.rescale.dat 3504 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_055/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_060/ 25839 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/L.LD_Gradient.total.Grad_ACAACA.dat 25839 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/L.Pair_Interaction.total.ACAACA.dat 2610 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 2610 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/Print_tpr_file.txt 5294 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/S.dat 25839 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_forces.LD_Gradient.total.Grad_ACAACA.dat 25839 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_forces.Pair_Interaction.total.ACAACA.dat 2610 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 2610 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 25839 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_struct.LD_Gradient.total.Grad_ACAACA.dat 25839 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_struct.Pair_Interaction.total.ACAACA.dat 2610 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 2610 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 30294 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_forces.LD_Gradient.total.Grad_ACAACA.dat 30294 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_forces.Pair_Interaction.total.ACAACA.dat 3060 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3060 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 30294 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_struct.LD_Gradient.total.Grad_ACAACA.dat 30305 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_struct.Pair_Interaction.total.ACAACA.dat 3060 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3060 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 25839 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g.LD_Gradient.total.Grad_ACAACA.dat 25839 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g.Pair_Interaction.total.ACAACA.dat 25839 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 25839 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g_cnt.Pair_Interaction.total.ACAACA.dat 2610 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 2610 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 2610 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 2610 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/inp.txt 85707 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/log.txt 2077 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/out.total.txt 829 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/par.txt 23 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.FF.dat 2320453 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.Gtrim.dat 2304108 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.Gtrimprec.dat 18025 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.L.dat 8554866 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.M.dat 8530514 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.M2.dat 7 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.Nf.dat 18314 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.b_forces.dat 18554 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.b_struct.dat 6971 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.btrim_forces.dat 6870 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.btrim_struct.dat 3783 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.btrimprec_forces.dat 3925 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.btrimprec_struct.dat 8592507 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.d2M.dat 19565 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.d2b.dat 18167 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.g.dat 18628 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.g_cnt.dat 3868 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.phi1_forces.dat 3937 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.phi1_struct.dat 4200 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.phi2_forces.dat 4022 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.phi2_struct.dat 18628 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/save.rescale.dat 3500 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_060/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_065/ 29029 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/L.LD_Gradient.total.Grad_ACAACA.dat 29029 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/L.Pair_Interaction.total.ACAACA.dat 2929 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 2929 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_GRAD_065/Print_tpr_file.txt 5691 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/S.dat 29029 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/b_forces.LD_Gradient.total.Grad_ACAACA.dat 29029 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_GRAD_065/b_forces.Pair_Interaction.total.ACAACA.dat 2929 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 2929 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 29029 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/b_struct.LD_Gradient.total.Grad_ACAACA.dat 29029 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/b_struct.Pair_Interaction.total.ACAACA.dat 2929 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 2929 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 34034 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/f_forces.LD_Gradient.total.Grad_ACAACA.dat 34034 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_GRAD_065/f_forces.Pair_Interaction.total.ACAACA.dat 3434 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3434 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 34034 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/f_struct.LD_Gradient.total.Grad_ACAACA.dat 34034 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/f_struct.Pair_Interaction.total.ACAACA.dat 3434 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3434 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 29029 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/g.LD_Gradient.total.Grad_ACAACA.dat 29029 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/g.Pair_Interaction.total.ACAACA.dat 29029 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 29029 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/g_cnt.Pair_Interaction.total.ACAACA.dat 2929 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 2929 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 2929 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_GRAD_065/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 2929 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/inp.txt 86191 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/log.txt 2076 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/out.total.txt 831 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/par.txt 23 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.FF.dat 2685452 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.Gtrim.dat 2668758 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.Gtrimprec.dat 17993 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.L.dat 8558658 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.M.dat 8530645 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.M2.dat 7 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.Nf.dat 18316 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.b_forces.dat 18551 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.b_struct.dat 7479 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.btrim_forces.dat 7384 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.btrim_struct.dat 4103 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_GRAD_065/save.btrimprec_forces.dat 4284 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_GRAD_065/save.btrimprec_struct.dat 8599518 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.d2M.dat 19680 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.d2b.dat 18191 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_GRAD_065/save.g.dat 18668 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.g_cnt.dat 4176 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.phi1_forces.dat 4207 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.phi1_struct.dat 4538 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.phi2_forces.dat 4325 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/save.phi2_struct.dat 18668 04-28-2020 01:06 acetic-acid/slab/CGFF_LD_GRAD_065/save.rescale.dat 3504 04-28-2020 01:05 acetic-acid/slab/CGFF_LD_GRAD_065/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_070/ 31639 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/L.LD_Gradient.total.Grad_ACAACA.dat 31639 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/L.Pair_Interaction.total.ACAACA.dat 3190 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 3190 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/Print_tpr_file.txt 6014 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/S.dat 31639 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_forces.LD_Gradient.total.Grad_ACAACA.dat 31639 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_forces.Pair_Interaction.total.ACAACA.dat 3190 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3190 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 31639 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_struct.LD_Gradient.total.Grad_ACAACA.dat 31639 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_struct.Pair_Interaction.total.ACAACA.dat 3190 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3190 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 37094 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_forces.LD_Gradient.total.Grad_ACAACA.dat 37094 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_forces.Pair_Interaction.total.ACAACA.dat 3740 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3740 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 37094 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_struct.LD_Gradient.total.Grad_ACAACA.dat 37100 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_struct.Pair_Interaction.total.ACAACA.dat 3740 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3740 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 31639 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g.LD_Gradient.total.Grad_ACAACA.dat 31639 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g.Pair_Interaction.total.ACAACA.dat 31639 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 31639 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g_cnt.Pair_Interaction.total.ACAACA.dat 3190 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 3190 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3190 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 3190 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/inp.txt 86587 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/log.txt 2076 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/out.total.txt 829 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/par.txt 23 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.FF.dat 3002574 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.Gtrim.dat 2986960 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.Gtrimprec.dat 17993 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.L.dat 8561252 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.M.dat 8530698 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.M2.dat 7 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.Nf.dat 18314 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.b_forces.dat 18536 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.b_struct.dat 7891 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.btrim_forces.dat 7792 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.btrim_struct.dat 4353 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.btrimprec_forces.dat 4547 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.btrimprec_struct.dat 8603408 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.d2M.dat 19717 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.d2b.dat 18216 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.g.dat 18690 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.g_cnt.dat 4456 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.phi1_forces.dat 4360 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.phi1_struct.dat 4774 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.phi2_forces.dat 4580 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.phi2_struct.dat 18690 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/save.rescale.dat 3500 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_070/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_072/ 32509 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/L.LD_Gradient.total.Grad_ACAACA.dat 32509 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/L.Pair_Interaction.total.ACAACA.dat 3277 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 3277 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/Print_tpr_file.txt 6122 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/S.dat 32509 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_forces.LD_Gradient.total.Grad_ACAACA.dat 32509 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_forces.Pair_Interaction.total.ACAACA.dat 3277 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3277 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 32509 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_struct.LD_Gradient.total.Grad_ACAACA.dat 32509 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_struct.Pair_Interaction.total.ACAACA.dat 3277 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3277 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 38114 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_forces.LD_Gradient.total.Grad_ACAACA.dat 38114 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_forces.Pair_Interaction.total.ACAACA.dat 3842 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3842 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 38114 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_struct.LD_Gradient.total.Grad_ACAACA.dat 38170 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_struct.Pair_Interaction.total.ACAACA.dat 3842 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3844 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 32509 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g.LD_Gradient.total.Grad_ACAACA.dat 32509 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g.Pair_Interaction.total.ACAACA.dat 32509 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 32509 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g_cnt.Pair_Interaction.total.ACAACA.dat 3277 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 3277 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3277 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 3277 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/inp.txt 86719 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/log.txt 2077 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/out.total.txt 831 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/par.txt 23 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.FF.dat 3111778 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.Gtrim.dat 3096888 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.Gtrimprec.dat 17993 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.L.dat 8561952 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.M.dat 8530677 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.M2.dat 7 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.Nf.dat 18318 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.b_forces.dat 18530 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.b_struct.dat 8033 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.btrim_forces.dat 7927 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.btrim_struct.dat 4459 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.btrimprec_forces.dat 4651 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.btrimprec_struct.dat 8604354 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.d2M.dat 19728 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.d2b.dat 18224 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.g.dat 18700 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.g_cnt.dat 4564 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.phi1_forces.dat 4439 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.phi1_struct.dat 4871 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.phi2_forces.dat 4684 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.phi2_struct.dat 18700 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/save.rescale.dat 3504 04-28-2020 02:14 acetic-acid/slab/CGFF_LD_GRAD_072/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/ 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/L.LD_Gradient.total.Grad_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/L.Local_Density.total.LD_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/L.Pair_Interaction.total.ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/L_coeff.Local_Density.total.LD_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/L_coeff.Pair_Interaction.total.ACAACA.dat 7121 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/S.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_forces.LD_Gradient.total.Grad_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_forces.Local_Density.total.LD_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_forces.Pair_Interaction.total.ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_struct.LD_Gradient.total.Grad_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_struct.Local_Density.total.LD_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_struct.Pair_Interaction.total.ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 36217 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/cgff_072_grad.o24257259 192 12-22-2020 12:56 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/dump_my_mols.txt 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_forces.LD_Gradient.total.Grad_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_forces.Local_Density.total.LD_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_forces.Pair_Interaction.total.ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_struct.LD_Gradient.total.Grad_ACAACA.dat 32585 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_struct.Local_Density.total.LD_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_struct.Pair_Interaction.total.ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3280 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g.LD_Gradient.total.Grad_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g.Local_Density.total.LD_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g.Pair_Interaction.total.ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g_cnt.Local_Density.total.LD_ACAACA.dat 32509 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g_cnt.Pair_Interaction.total.ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g_coeff.Local_Density.total.LD_ACAACA.dat 3277 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/g_coeff.Pair_Interaction.total.ACAACA.dat 59 12-22-2020 12:36 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/inp.txt 86614 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/log.txt 2077 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/out.total.txt 831 12-22-2020 12:36 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/par.txt 23 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.FF.dat 3104781 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.G.dat 17993 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.L.dat 8567889 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.M.dat 8530677 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.M2.dat 7 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.Nf.dat 18319 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.b_forces.dat 18819 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.b_struct.dat 8604354 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.d2M.dat 19728 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.d2b.dat 18224 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.g.dat 18700 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.g_cnt.dat 18700 12-22-2020 13:28 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/save.rescale.dat 3431 12-22-2020 12:56 acetic-acid/slab/CGFF_LD_GRAD_072_REDO/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_075/ 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/L.LD_Gradient.total.Grad_ACAACA.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/L.Pair_Interaction.total.ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/Print_tpr_file.txt 6194 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/S.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_forces.LD_Gradient.total.Grad_ACAACA.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_forces.Pair_Interaction.total.ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_struct.LD_Gradient.total.Grad_ACAACA.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_struct.Pair_Interaction.total.ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 38794 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_forces.LD_Gradient.total.Grad_ACAACA.dat 38794 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_forces.Pair_Interaction.total.ACAACA.dat 3910 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3910 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 38794 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_struct.LD_Gradient.total.Grad_ACAACA.dat 38794 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_struct.Pair_Interaction.total.ACAACA.dat 3910 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3910 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g.LD_Gradient.total.Grad_ACAACA.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g.Pair_Interaction.total.ACAACA.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 33089 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g_cnt.Pair_Interaction.total.ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 3335 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/inp.txt 86807 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/log.txt 2076 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/out.total.txt 831 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/par.txt 23 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.FF.dat 3185020 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.Gtrim.dat 3171292 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.Gtrimprec.dat 17993 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.L.dat 8562081 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.M.dat 8530634 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.M2.dat 7 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.Nf.dat 18311 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.b_forces.dat 18525 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.b_struct.dat 8118 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.btrim_forces.dat 8016 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.btrim_struct.dat 4526 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.btrimprec_forces.dat 4719 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.btrimprec_struct.dat 8604638 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.d2M.dat 19737 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.d2b.dat 18234 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.g.dat 18706 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.g_cnt.dat 4638 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.phi1_forces.dat 4498 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.phi1_struct.dat 4890 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.phi2_forces.dat 4707 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.phi2_struct.dat 18706 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/save.rescale.dat 3504 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_075/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_080/ 34249 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/L.LD_Gradient.total.Grad_ACAACA.dat 34249 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/L.Pair_Interaction.total.ACAACA.dat 3451 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 3451 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/Print_tpr_file.txt 6338 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/S.dat 34249 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_forces.LD_Gradient.total.Grad_ACAACA.dat 34249 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_forces.Pair_Interaction.total.ACAACA.dat 3451 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3451 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 34249 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_struct.LD_Gradient.total.Grad_ACAACA.dat 34249 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_struct.Pair_Interaction.total.ACAACA.dat 3451 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3451 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 40154 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_forces.LD_Gradient.total.Grad_ACAACA.dat 40154 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_forces.Pair_Interaction.total.ACAACA.dat 4046 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 4046 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 40154 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_struct.LD_Gradient.total.Grad_ACAACA.dat 40154 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_struct.Pair_Interaction.total.ACAACA.dat 4046 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 4046 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 34249 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g.LD_Gradient.total.Grad_ACAACA.dat 34249 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g.Pair_Interaction.total.ACAACA.dat 34249 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 34249 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g_cnt.Pair_Interaction.total.ACAACA.dat 3451 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 3451 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3451 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 3451 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/inp.txt 86983 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/log.txt 2076 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/out.total.txt 829 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/par.txt 23 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.FF.dat 3333097 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.Gtrim.dat 3321582 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.Gtrimprec.dat 17993 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.L.dat 8561799 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.M.dat 8530579 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.M2.dat 7 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.Nf.dat 18303 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.b_forces.dat 18520 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.b_struct.dat 8294 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.btrim_forces.dat 8199 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.btrim_struct.dat 4651 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.btrimprec_forces.dat 4852 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.btrimprec_struct.dat 8604656 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.d2M.dat 19720 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.d2b.dat 18250 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.g.dat 18724 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.g_cnt.dat 4785 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.phi1_forces.dat 4627 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.phi1_struct.dat 5014 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.phi2_forces.dat 4773 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.phi2_struct.dat 18724 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/save.rescale.dat 3500 04-28-2020 00:24 acetic-acid/slab/CGFF_LD_GRAD_080/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_085/ 34539 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/L.LD_Gradient.total.Grad_ACAACA.dat 34539 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/L.Pair_Interaction.total.ACAACA.dat 3480 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 3480 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/Print_tpr_file.txt 6375 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/S.dat 34539 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_forces.LD_Gradient.total.Grad_ACAACA.dat 34539 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_forces.Pair_Interaction.total.ACAACA.dat 3480 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3480 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 34539 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_struct.LD_Gradient.total.Grad_ACAACA.dat 34539 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_struct.Pair_Interaction.total.ACAACA.dat 3480 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3480 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 40494 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_forces.LD_Gradient.total.Grad_ACAACA.dat 40494 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_forces.Pair_Interaction.total.ACAACA.dat 4080 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 4080 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 40494 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_struct.LD_Gradient.total.Grad_ACAACA.dat 40494 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_struct.Pair_Interaction.total.ACAACA.dat 4080 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 4080 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 34539 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g.LD_Gradient.total.Grad_ACAACA.dat 34539 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g.Pair_Interaction.total.ACAACA.dat 34539 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 34539 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g_cnt.Pair_Interaction.total.ACAACA.dat 3480 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 3480 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3480 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 3480 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/inp.txt 87027 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/log.txt 2077 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/out.total.txt 831 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/par.txt 23 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.FF.dat 3368671 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.Gtrim.dat 3359036 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.Gtrimprec.dat 17993 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.L.dat 8560733 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.M.dat 8530497 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.M2.dat 7 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.Nf.dat 18289 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.b_forces.dat 18508 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.b_struct.dat 8326 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.btrim_forces.dat 8234 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.btrim_struct.dat 4675 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.btrimprec_forces.dat 4879 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.btrimprec_struct.dat 8603133 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.d2M.dat 19669 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.d2b.dat 18260 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.g.dat 18748 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.g_cnt.dat 4793 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.phi1_forces.dat 4661 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.phi1_struct.dat 4980 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.phi2_forces.dat 4775 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.phi2_struct.dat 18748 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/save.rescale.dat 3504 04-28-2020 02:09 acetic-acid/slab/CGFF_LD_GRAD_085/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_090/ 35119 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/L.LD_Gradient.total.Grad_ACAACA.dat 35119 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/L.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 3538 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/Print_tpr_file.txt 6447 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/S.dat 35119 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_forces.LD_Gradient.total.Grad_ACAACA.dat 35119 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_forces.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3538 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_struct.LD_Gradient.total.Grad_ACAACA.dat 35119 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_struct.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3538 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 41174 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_forces.LD_Gradient.total.Grad_ACAACA.dat 41174 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_forces.Pair_Interaction.total.ACAACA.dat 4148 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 4148 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 41187 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_struct.LD_Gradient.total.Grad_ACAACA.dat 41235 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_struct.Pair_Interaction.total.ACAACA.dat 4148 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 4150 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g.LD_Gradient.total.Grad_ACAACA.dat 35119 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 35119 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g_cnt.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 3538 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 3538 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/inp.txt 87115 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/log.txt 2077 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/out.total.txt 831 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/par.txt 23 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.FF.dat 3443626 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.Gtrim.dat 3435434 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.Gtrimprec.dat 17993 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.L.dat 8560186 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.M.dat 8530393 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.M2.dat 7 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.Nf.dat 18282 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.b_forces.dat 18506 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.b_struct.dat 8411 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.btrim_forces.dat 8326 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.btrim_struct.dat 4760 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.btrimprec_forces.dat 4981 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.btrimprec_struct.dat 8602556 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.d2M.dat 19641 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.d2b.dat 18270 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.g.dat 18760 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.g_cnt.dat 4837 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.phi1_forces.dat 4726 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.phi1_struct.dat 5019 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.phi2_forces.dat 4823 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.phi2_struct.dat 18760 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/save.rescale.dat 3500 04-28-2020 02:19 acetic-acid/slab/CGFF_LD_GRAD_090/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_095/ 35119 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/L.LD_Gradient.total.Grad_ACAACA.dat 35119 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/L.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 3538 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/Print_tpr_file.txt 6447 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/S.dat 35119 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_forces.LD_Gradient.total.Grad_ACAACA.dat 35119 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_forces.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3538 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_struct.LD_Gradient.total.Grad_ACAACA.dat 35119 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_struct.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3538 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 41174 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_forces.LD_Gradient.total.Grad_ACAACA.dat 41174 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_forces.Pair_Interaction.total.ACAACA.dat 4148 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 4148 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 41174 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_struct.LD_Gradient.total.Grad_ACAACA.dat 41174 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_struct.Pair_Interaction.total.ACAACA.dat 4148 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 4148 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g.LD_Gradient.total.Grad_ACAACA.dat 35119 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g.Pair_Interaction.total.ACAACA.dat 35119 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 35119 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g_cnt.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 3538 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3538 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 3538 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/inp.txt 87115 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/log.txt 2075 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/out.total.txt 831 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/par.txt 23 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.FF.dat 3441687 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.Gtrim.dat 3434762 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.Gtrimprec.dat 17995 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.L.dat 8559218 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.M.dat 8530306 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.M2.dat 7 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.Nf.dat 18270 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.b_forces.dat 18500 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.b_struct.dat 8399 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.btrim_forces.dat 8320 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.btrim_struct.dat 4784 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.btrimprec_forces.dat 4997 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.btrimprec_struct.dat 8601297 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.d2M.dat 19596 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.d2b.dat 18273 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.g.dat 18768 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.g_cnt.dat 4833 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.phi1_forces.dat 4730 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.phi1_struct.dat 5014 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.phi2_forces.dat 4802 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.phi2_struct.dat 18768 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/save.rescale.dat 3504 04-28-2020 01:47 acetic-acid/slab/CGFF_LD_GRAD_095/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_LD_GRAD_100/ 35409 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/L.LD_Gradient.total.Grad_ACAACA.dat 35409 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/L.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/L.Pair_Interaction.total.ACAACA.dat 3567 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/L_coeff.LD_Gradient.total.Grad_ACAACA.dat 3567 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/L_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/Print_tpr_file.txt 6483 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/S.dat 35409 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_forces.LD_Gradient.total.Grad_ACAACA.dat 35409 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_forces.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_forces.Pair_Interaction.total.ACAACA.dat 3567 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 3567 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_forces_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 35409 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_struct.LD_Gradient.total.Grad_ACAACA.dat 35409 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_struct.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_struct.Pair_Interaction.total.ACAACA.dat 3567 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 3567 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_struct_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 41519 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_forces.LD_Gradient.total.Grad_ACAACA.dat 41567 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_forces.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_forces.Pair_Interaction.total.ACAACA.dat 4182 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_forces_coeff.LD_Gradient.total.Grad_ACAACA.dat 4184 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_forces_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 41538 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_struct.LD_Gradient.total.Grad_ACAACA.dat 41595 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_struct.Local_Density.total.LD_ACAACA.dat 38454 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_struct.Pair_Interaction.total.ACAACA.dat 4182 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_struct_coeff.LD_Gradient.total.Grad_ACAACA.dat 4185 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_struct_coeff.Local_Density.total.LD_ACAACA.dat 3876 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 35409 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g.LD_Gradient.total.Grad_ACAACA.dat 35409 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g.Pair_Interaction.total.ACAACA.dat 35409 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g_cnt.LD_Gradient.total.Grad_ACAACA.dat 35409 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g_cnt.Local_Density.total.LD_ACAACA.dat 32799 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g_cnt.Pair_Interaction.total.ACAACA.dat 3567 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g_cnt_coeff.LD_Gradient.total.Grad_ACAACA.dat 3567 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g_cnt_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3567 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g_coeff.LD_Gradient.total.Grad_ACAACA.dat 3567 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g_coeff.Local_Density.total.LD_ACAACA.dat 3306 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/g_coeff.Pair_Interaction.total.ACAACA.dat 59 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/inp.txt 87159 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/log.txt 2081 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/out.total.txt 831 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/par.txt 23 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.FF.dat 3478996 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.Gtrim.dat 3473168 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.Gtrimprec.dat 17997 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.L.dat 8558726 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.M.dat 8530228 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.M2.dat 7 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.Nf.dat 18260 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.b_forces.dat 18497 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.b_struct.dat 8435 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.btrim_forces.dat 8364 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.btrim_struct.dat 4820 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.btrimprec_forces.dat 5044 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.btrimprec_struct.dat 8600528 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.d2M.dat 19563 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.d2b.dat 18274 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.g.dat 18780 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.g_cnt.dat 4888 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.phi1_forces.dat 4764 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.phi1_struct.dat 5044 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.phi2_forces.dat 4829 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.phi2_struct.dat 18780 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/save.rescale.dat 3492 04-28-2020 01:12 acetic-acid/slab/CGFF_LD_GRAD_100/summarize_input.txt 0 04-15-2022 12:13 acetic-acid/slab/CGFF_pair/ 32799 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/L.Pair_Interaction.total.ACAACA.dat 3306 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/L_coeff.Pair_Interaction.total.ACAACA.dat 365042 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/Print_tpr_file.txt 2052 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/S.dat 32799 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/b_forces.Pair_Interaction.total.ACAACA.dat 3306 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/b_forces_coeff.Pair_Interaction.total.ACAACA.dat 32799 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/b_struct.Pair_Interaction.total.ACAACA.dat 3306 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/b_struct_coeff.Pair_Interaction.total.ACAACA.dat 38454 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/f_forces.Pair_Interaction.total.ACAACA.dat 3876 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/f_forces_coeff.Pair_Interaction.total.ACAACA.dat 38454 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/f_struct.Pair_Interaction.total.ACAACA.dat 3876 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/f_struct_coeff.Pair_Interaction.total.ACAACA.dat 32799 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/g.Pair_Interaction.total.ACAACA.dat 32799 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/g_cnt.Pair_Interaction.total.ACAACA.dat 3306 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/g_cnt_coeff.Pair_Interaction.total.ACAACA.dat 3306 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/g_coeff.Pair_Interaction.total.ACAACA.dat 55 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/inp.txt 25980 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/log.txt 909 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/out.total.txt 565 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/par.txt 23 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.FF.dat 331582 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.Gtrim.dat 331582 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.Gtrimprec.dat 2755 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.L.dat 204272 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.M.dat 201115 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.M2.dat 7 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.Nf.dat 2814 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.b_forces.dat 2844 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.b_struct.dat 2569 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.btrim_forces.dat 2569 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.btrim_struct.dat 1468 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.btrimprec_forces.dat 1459 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.btrimprec_struct.dat 207544 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.d2M.dat 3141 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.d2b.dat 2854 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.g.dat 3102 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.g_cnt.dat 1543 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.phi1_forces.dat 1549 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.phi1_struct.dat 1450 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.phi2_forces.dat 1449 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.phi2_struct.dat 3102 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/save.rescale.dat 2418 04-28-2020 00:31 acetic-acid/slab/CGFF_pair/summarize_input.txt 4410739 12-10-2021 14:30 acetic-acid/slab/CGSurfTenses.xvg 549 04-28-2020 02:09 acetic-acid/slab/CG_ACOH.btp 93060 04-28-2020 02:01 acetic-acid/slab/CG_ACOH.gro 2401 04-28-2020 00:24 acetic-acid/slab/CG_ACOH.mdp 564 04-28-2020 00:59 acetic-acid/slab/CG_ACOH.top 67024 04-28-2020 02:14 acetic-acid/slab/CG_ACOH.tpr 4861097220 04-28-2020 02:04 acetic-acid/slab/CG_ACOH.trr --------- ------- 5437574546 1676 files ===================================================== Content of ZIP archive acetic-acid-47.zip ===================================================== Archive: acetic-acid-47.zip Length Date Time Name --------- ---------- ----- ---- 15178345728 04-28-2020 01:05 acetic-acid/slab/CG_ACOH_050.btj --------- ------- 15178345728 1 file ===================================================== Content of ZIP archive acetic-acid-48.zip ===================================================== Archive: acetic-acid-48.zip Length Date Time Name --------- ---------- ----- ---- 15178345728 04-28-2020 01:35 acetic-acid/slab/CG_ACOH_055.btj --------- ------- 15178345728 1 file ===================================================== Content of ZIP archive acetic-acid-49.zip ===================================================== Archive: acetic-acid-49.zip Length Date Time Name --------- ---------- ----- ---- 15178345728 04-28-2020 01:18 acetic-acid/slab/CG_ACOH_060.btj --------- ------- 15178345728 1 file ===================================================== Content of ZIP archive acetic-acid-50.zip ===================================================== Archive: acetic-acid-50.zip Length Date Time Name --------- ---------- ----- ---- 15178345728 04-28-2020 02:19 acetic-acid/slab/CG_ACOH_065.btj --------- ------- 15178345728 1 file ===================================================== Content 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archive acetic-acid-54.zip ===================================================== Archive: acetic-acid-54.zip Length Date Time Name --------- ---------- ----- ---- 15178345728 04-28-2020 01:29 acetic-acid/slab/CG_ACOH_080.btj --------- ------- 15178345728 1 file ===================================================== Content of ZIP archive acetic-acid-55.zip ===================================================== Archive: acetic-acid-55.zip Length Date Time Name --------- ---------- ----- ---- 15178345728 04-28-2020 01:23 acetic-acid/slab/CG_ACOH_085.btj --------- ------- 15178345728 1 file ===================================================== Content of ZIP archive acetic-acid-56.zip ===================================================== Archive: acetic-acid-56.zip Length Date Time Name --------- ---------- ----- ---- 15178345728 04-28-2020 00:30 acetic-acid/slab/CG_ACOH_090.btj --------- ------- 15178345728 1 file ===================================================== Content of ZIP archive acetic-acid-57.zip ===================================================== Archive: acetic-acid-57.zip Length Date Time Name --------- ---------- ----- ---- 15178345728 04-28-2020 02:14 acetic-acid/slab/CG_ACOH_095.btj --------- ------- 15178345728 1 file ===================================================== Content of ZIP archive acetic-acid-58.zip ===================================================== Archive: acetic-acid-58.zip Length Date Time Name --------- ---------- ----- ---- 15178345728 04-28-2020 02:09 acetic-acid/slab/CG_ACOH_100.btj --------- ------- 15178345728 1 file ===================================================== Content of ZIP archive acetic-acid-59.zip ===================================================== Archive: acetic-acid-59.zip Length Date Time Name --------- ---------- ----- ---- 2723038 05-14-2020 12:55 acetic-acid/slab/DPT.xvg 1514839 12-09-2021 22:24 acetic-acid/slab/Ek_comps.xvg 1527084 12-09-2021 21:55 acetic-acid/slab/Ek_comps_CG.xvg 33900 04-28-2020 01:06 acetic-acid/slab/LDPDF_050.dat 171574 04-28-2020 00:36 acetic-acid/slab/LDPDF_055.dat 33900 04-28-2020 01:40 acetic-acid/slab/LDPDF_060.dat 33900 04-28-2020 01:05 acetic-acid/slab/LDPDF_065.dat 33900 04-28-2020 02:19 acetic-acid/slab/LDPDF_070.dat 33900 04-28-2020 02:01 acetic-acid/slab/LDPDF_080.dat 33900 04-28-2020 01:06 acetic-acid/slab/LDPDF_085.dat 23 04-28-2020 00:24 acetic-acid/slab/LD_info_L050.txt 23 04-28-2020 01:12 acetic-acid/slab/LD_info_L053.txt 23 04-28-2020 02:09 acetic-acid/slab/LD_info_L055.txt 23 04-28-2020 00:36 acetic-acid/slab/LD_info_L060.txt 23 04-28-2020 00:59 acetic-acid/slab/LD_info_L065.txt 23 04-28-2020 01:12 acetic-acid/slab/LD_info_L070.txt 23 04-28-2020 00:36 acetic-acid/slab/LD_info_L072.txt 23 04-28-2020 01:47 acetic-acid/slab/LD_info_L075.txt 23 04-28-2020 02:19 acetic-acid/slab/LD_info_L080.txt 23 04-28-2020 02:19 acetic-acid/slab/LD_info_L085.txt 23 04-28-2020 01:12 acetic-acid/slab/LD_info_L090.txt 23 04-28-2020 01:47 acetic-acid/slab/LD_info_L095.txt 23 04-28-2020 01:12 acetic-acid/slab/LD_info_L100.txt 649953 04-28-2020 01:12 acetic-acid/slab/ST1.xvg 670812 04-28-2020 02:19 acetic-acid/slab/ST2.xvg 606 12-22-2020 12:54 acetic-acid/slab/cg_acoh_072_new.btp 168 04-28-2020 02:09 acetic-acid/slab/chisq.dat 744144 04-28-2020 00:31 acetic-acid/slab/confout.part0002.gro 11415879 04-28-2020 00:59 acetic-acid/slab/copy.log 6600 04-28-2020 00:59 acetic-acid/slab/density.dat 7360 04-28-2020 02:09 acetic-acid/slab/density.xvg 1203304 12-09-2021 22:20 acetic-acid/slab/dumpaatpr.txt 158352 12-22-2020 12:54 acetic-acid/slab/dumpcgtpr.txt 0 04-15-2022 12:13 acetic-acid/slab/emin/ 79876668 04-28-2020 01:06 acetic-acid/slab/emin/ACOH.edr 485358 04-28-2020 01:06 acetic-acid/slab/emin/ACOH.gro 1606 04-28-2020 01:06 acetic-acid/slab/emin/ACOH.itp 2637 04-28-2020 01:06 acetic-acid/slab/emin/ACOH.mdp 106 04-28-2020 01:06 acetic-acid/slab/emin/ACOH.top 536788 04-28-2020 01:06 acetic-acid/slab/emin/ACOH.tpr 131002388 04-28-2020 01:06 acetic-acid/slab/emin/ACOH.trr 434 04-28-2020 01:06 acetic-acid/slab/emin/ACOH1.gro 485328 04-28-2020 01:06 acetic-acid/slab/emin/confout.gro 112136743 04-28-2020 01:06 acetic-acid/slab/emin/md.log 11730 04-28-2020 01:06 acetic-acid/slab/emin/mdout.mdp 485358 04-28-2020 01:06 acetic-acid/slab/emin/slab.gro 78 04-28-2020 00:59 acetic-acid/slab/hilo_LDs_050.dat 78 04-28-2020 02:19 acetic-acid/slab/hilo_LDs_055.dat 78 04-28-2020 01:06 acetic-acid/slab/hilo_LDs_060.dat 78 04-28-2020 02:01 acetic-acid/slab/hilo_LDs_065.dat 78 04-28-2020 02:04 acetic-acid/slab/hilo_LDs_070.dat 78 04-28-2020 01:05 acetic-acid/slab/hilo_LDs_072.dat 78 04-28-2020 00:30 acetic-acid/slab/hilo_LDs_075.dat 78 04-28-2020 00:30 acetic-acid/slab/hilo_LDs_080.dat 78 04-28-2020 01:06 acetic-acid/slab/hilo_LDs_085.dat 78 04-28-2020 00:59 acetic-acid/slab/hilo_LDs_090.dat 78 04-28-2020 00:36 acetic-acid/slab/hilo_LDs_095.dat 78 04-28-2020 02:04 acetic-acid/slab/hilo_LDs_100.dat 33900 04-28-2020 02:19 acetic-acid/slab/idk.dat 60 04-28-2020 02:19 acetic-acid/slab/inp_gen.txt 342 04-28-2020 01:47 acetic-acid/slab/map.top 17858830 04-28-2020 01:47 acetic-acid/slab/md.log 13659923 04-28-2020 01:18 acetic-acid/slab/md.part0002.log 11729 04-28-2020 00:59 acetic-acid/slab/mdout.mdp 831 04-28-2020 01:29 acetic-acid/slab/par_gen_grad.txt 698 04-28-2020 02:19 acetic-acid/slab/par_gen_ld.txt 485358 04-28-2020 00:31 acetic-acid/slab/slab.gro 519600 04-28-2020 02:14 acetic-acid/slab/state.cpt 519568 04-28-2020 02:09 acetic-acid/slab/state1.cpt 519600 04-28-2020 02:04 acetic-acid/slab/state_prev.cpt 519568 04-28-2020 01:05 acetic-acid/slab/state_prev1.cpt 0 04-15-2022 12:13 acetic-acid/slab/ststuff/ 9639 12-10-2021 16:02 acetic-acid/slab/ststuff/AA_SurfTenses.xvg 12524 12-10-2021 15:40 acetic-acid/slab/ststuff/AA_energy.xvg 77661200 12-10-2021 14:44 acetic-acid/slab/ststuff/ACOH.100fr.trr 9722000 12-10-2021 14:44 acetic-acid/slab/ststuff/CG_ACOH.100fr.trr 9615 12-10-2021 16:02 acetic-acid/slab/ststuff/CG_SurfTenses.xvg 187675990 12-10-2021 15:35 acetic-acid/slab/ststuff/dumptrr.txt 781859 09-27-2020 18:49 acetic-acid/slab/surftens.xvg --------- ------- 656026326 79 files