===================================================== Content of ZIP archive AA_trajectory-01.zip ===================================================== Archive: AA_trajectory-01.zip Length Date Time Name --------- ---------- ----- ---- 0 08-15-2018 09:41 AA_trajectory/ 0 08-15-2018 09:42 AA_trajectory/emin/ 6547 08-15-2018 09:42 AA_trajectory/emin/#mdrun.log.1# 2368 08-15-2018 09:42 AA_trajectory/emin/emin.mdp 770 08-15-2018 09:42 AA_trajectory/emin/energy.xvg 10282 08-15-2018 09:42 AA_trajectory/emin/mdout.mdp 15485 08-15-2018 09:42 AA_trajectory/emin/mdrun.log 1224 08-15-2018 09:42 AA_trajectory/emin/methanol.itp 257356 08-15-2018 09:42 AA_trajectory/emin/methanol_953.confout.gro 4388 08-15-2018 09:42 AA_trajectory/emin/methanol_953.edr 394588 08-15-2018 09:42 AA_trajectory/emin/methanol_953.gro 248 08-15-2018 09:42 AA_trajectory/emin/methanol_953.top 292556 08-15-2018 09:42 AA_trajectory/emin/methanol_953.tpr 274628 08-15-2018 09:42 AA_trajectory/emin/methanol_953.trr 0 08-15-2018 09:42 AA_trajectory/equilibration/ 0 08-15-2018 09:42 AA_trajectory/equilibration/annealing/ 15019 08-15-2018 09:42 AA_trajectory/equilibration/annealing/#mdrun-equilibration.log.1# 439 08-15-2018 09:42 AA_trajectory/equilibration/annealing/anneal_MOH.o6823915 394588 08-15-2018 09:42 AA_trajectory/equilibration/annealing/equilibration.confout.gro 4581172 08-15-2018 09:42 AA_trajectory/equilibration/annealing/equilibration.edr 2604 08-15-2018 09:42 AA_trajectory/equilibration/annealing/equilibration.mdp 292604 08-15-2018 09:42 AA_trajectory/equilibration/annealing/equilibration.tpr 2059711860 08-15-2018 09:42 AA_trajectory/equilibration/annealing/equilibration.trr 4201 08-15-2018 09:42 AA_trajectory/equilibration/annealing/grompp-equilibration.log 10346 08-15-2018 09:42 AA_trajectory/equilibration/annealing/mdout-equilibration.mdp 2946581 08-15-2018 09:42 AA_trajectory/equilibration/annealing/mdrun-equilibration.log 1224 08-15-2018 09:42 AA_trajectory/equilibration/annealing/methanol.itp 257356 08-15-2018 09:42 AA_trajectory/equilibration/annealing/methanol_953.gro 248 08-15-2018 09:42 AA_trajectory/equilibration/annealing/methanol_953.top 210 08-15-2018 09:42 AA_trajectory/equilibration/annealing/qsub.sh 2073 08-15-2018 09:42 AA_trajectory/equilibration/annealing/run_gmx.sh 453756 08-15-2018 09:42 AA_trajectory/equilibration/annealing/state.cpt 453756 08-15-2018 09:42 AA_trajectory/equilibration/annealing/state_prev.cpt 0 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/ 15020 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/#mdrun-equilibration.log.1# 439 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/cool_MOH_270.o6837013 394588 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/equilibration.confout.gro 4581172 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/equilibration.edr 2621 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/equilibration.mdp 292604 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/equilibration.tpr 2059711860 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/equilibration.trr 4275 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/grompp-equilibration.log 10349 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/mdout-equilibration.mdp 2938499 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/mdrun-equilibration.log 1224 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/methanol.itp 394588 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/methanol_953.gro 248 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/methanol_953.top 212 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/qsub.sh 2073 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/run_gmx.sh 453756 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/state.cpt 453756 08-15-2018 09:42 AA_trajectory/equilibration/cool_270/state_prev.cpt 0 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/ 15016 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/#mdrun-equilibration.log.1# 439 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/cool_MOH_280.o6837014 394588 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/equilibration.confout.gro 4581172 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/equilibration.edr 2621 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/equilibration.mdp 292604 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/equilibration.tpr --------- ------- 4144932201 58 files ===================================================== Content of ZIP archive AA_trajectory-02.zip ===================================================== Archive: AA_trajectory-02.zip Length Date Time Name --------- ---------- ----- ---- 2059711860 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/equilibration.trr 4282 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/grompp-equilibration.log 10349 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/mdout-equilibration.mdp 2938566 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/mdrun-equilibration.log 1224 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/methanol.itp 394588 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/methanol_953.gro 248 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/methanol_953.top 212 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/qsub.sh 2073 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/run_gmx.sh 453756 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/state.cpt 453756 08-15-2018 09:42 AA_trajectory/equilibration/cool_280/state_prev.cpt 0 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/ 14878 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/#mdrun-equilibration.log.1# 439 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/cool_MOH_290.o6837039 394588 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/equilibration.confout.gro 4581172 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/equilibration.edr 2621 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/equilibration.mdp 292604 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/equilibration.tpr 2059711860 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/equilibration.trr 4282 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/grompp-equilibration.log 10349 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/mdout-equilibration.mdp 2833366 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/mdrun-equilibration.log 1224 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/methanol.itp 394588 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/methanol_953.gro 248 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/methanol_953.top 212 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/qsub.sh 2073 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/run_gmx.sh 453756 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/state.cpt 453756 08-15-2018 09:42 AA_trajectory/equilibration/cool_290/state_prev.cpt 0 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/ 15037 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/#mdrun-equilibration.log.1# 439 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/cool_MOH_300.o6837041 394588 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/equilibration.confout.gro 4581172 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/equilibration.edr 2621 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/equilibration.mdp 292604 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/equilibration.tpr --------- ------- 4138409391 36 files ===================================================== Content of ZIP archive AA_trajectory-03.zip ===================================================== Archive: AA_trajectory-03.zip Length Date Time Name --------- ---------- ----- ---- 2059711860 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/equilibration.trr 4287 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/grompp-equilibration.log 10349 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/mdout-equilibration.mdp 2938670 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/mdrun-equilibration.log 1224 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/methanol.itp 394588 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/methanol_953.gro 248 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/methanol_953.top 212 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/qsub.sh 2073 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/run_gmx.sh 453756 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/state.cpt 453756 08-15-2018 09:42 AA_trajectory/equilibration/cool_300/state_prev.cpt 2621 08-15-2018 09:42 AA_trajectory/equilibration/equilibration.mdp 212 08-15-2018 09:42 AA_trajectory/equilibration/qsub.sh 0 08-15-2018 09:44 AA_trajectory/production/ 0 08-15-2018 09:43 AA_trajectory/production/270K/ 14939 08-15-2018 09:43 AA_trajectory/production/270K/#mdrun-methanol_953.log.1# 540495 08-15-2018 09:43 AA_trajectory/production/270K/AA_potential.xvg 3958 08-15-2018 09:43 AA_trajectory/production/270K/grompp-methanol_953.log 10311 08-15-2018 09:43 AA_trajectory/production/270K/mdout-methanol_953.mdp 10479608 08-15-2018 09:43 AA_trajectory/production/270K/mdrun-methanol_953.log 1224 08-15-2018 09:43 AA_trajectory/production/270K/methanol.itp 0 08-15-2018 09:43 AA_trajectory/production/270K/methanol_270.o6851397 394588 08-15-2018 09:43 AA_trajectory/production/270K/methanol_953.confout.gro 18321172 08-15-2018 09:43 AA_trajectory/production/270K/methanol_953.edr 394588 08-15-2018 09:43 AA_trajectory/production/270K/methanol_953.gro 248 08-15-2018 09:43 AA_trajectory/production/270K/methanol_953.top 292556 08-15-2018 09:43 AA_trajectory/production/270K/methanol_953.tpr --------- ------- 2094427543 27 files ===================================================== Content of ZIP archive AA_trajectory-04.zip ===================================================== Archive: AA_trajectory-04.zip Length Date Time Name --------- ---------- ----- ---- 8237611860 08-15-2018 09:43 AA_trajectory/production/270K/methanol_953.trr --------- ------- 8237611860 1 file ===================================================== Content of ZIP archive AA_trajectory-05.zip ===================================================== Archive: AA_trajectory-05.zip Length Date Time Name --------- ---------- ----- ---- 2364 08-15-2018 09:43 AA_trajectory/production/270K/prod.mdp 212 08-15-2018 09:43 AA_trajectory/production/270K/qsub.sh 1246 08-15-2018 09:43 AA_trajectory/production/270K/run_gmx.sh 453748 08-15-2018 09:43 AA_trajectory/production/270K/state.cpt 453748 08-15-2018 09:43 AA_trajectory/production/270K/state_prev.cpt 0 08-15-2018 09:43 AA_trajectory/production/280K/ 15076 08-15-2018 09:43 AA_trajectory/production/280K/#mdrun-methanol_953.log.1# 540475 08-15-2018 09:43 AA_trajectory/production/280K/AA_potential.xvg 3956 08-15-2018 09:43 AA_trajectory/production/280K/grompp-methanol_953.log 10311 08-15-2018 09:43 AA_trajectory/production/280K/mdout-methanol_953.mdp 10899990 08-15-2018 09:43 AA_trajectory/production/280K/mdrun-methanol_953.log 1224 08-15-2018 09:43 AA_trajectory/production/280K/methanol.itp 0 08-15-2018 09:43 AA_trajectory/production/280K/methanol_280.o6851398 394588 08-15-2018 09:43 AA_trajectory/production/280K/methanol_953.confout.gro 18321172 08-15-2018 09:43 AA_trajectory/production/280K/methanol_953.edr 394588 08-15-2018 09:43 AA_trajectory/production/280K/methanol_953.gro 248 08-15-2018 09:43 AA_trajectory/production/280K/methanol_953.top 292556 08-15-2018 09:43 AA_trajectory/production/280K/methanol_953.tpr --------- ------- 31785502 18 files ===================================================== Content of ZIP archive AA_trajectory-06.zip ===================================================== Archive: AA_trajectory-06.zip Length Date Time Name --------- ---------- ----- ---- 8237611860 08-15-2018 09:43 AA_trajectory/production/280K/methanol_953.trr --------- ------- 8237611860 1 file ===================================================== Content of ZIP archive AA_trajectory-07.zip ===================================================== Archive: AA_trajectory-07.zip Length Date Time Name --------- ---------- ----- ---- 2364 08-15-2018 09:43 AA_trajectory/production/280K/prod.mdp 212 08-15-2018 09:43 AA_trajectory/production/280K/qsub.sh 1246 08-15-2018 09:43 AA_trajectory/production/280K/run_gmx.sh 453748 08-15-2018 09:43 AA_trajectory/production/280K/state.cpt 453748 08-15-2018 09:43 AA_trajectory/production/280K/state_prev.cpt 0 08-15-2018 09:44 AA_trajectory/production/290K/ 14941 08-15-2018 09:43 AA_trajectory/production/290K/#mdrun-methanol_953.log.1# 540501 08-15-2018 09:43 AA_trajectory/production/290K/AA_potential.xvg 3956 08-15-2018 09:44 AA_trajectory/production/290K/grompp-methanol_953.log 10311 08-15-2018 09:44 AA_trajectory/production/290K/mdout-methanol_953.mdp 10479563 08-15-2018 09:44 AA_trajectory/production/290K/mdrun-methanol_953.log 1224 08-15-2018 09:43 AA_trajectory/production/290K/methanol.itp 0 08-15-2018 09:44 AA_trajectory/production/290K/methanol_290.o6851400 394588 08-15-2018 09:43 AA_trajectory/production/290K/methanol_953.confout.gro 18321172 08-15-2018 09:43 AA_trajectory/production/290K/methanol_953.edr 394588 08-15-2018 09:44 AA_trajectory/production/290K/methanol_953.gro 248 08-15-2018 09:43 AA_trajectory/production/290K/methanol_953.top 292556 08-15-2018 09:43 AA_trajectory/production/290K/methanol_953.tpr --------- ------- 31364966 18 files ===================================================== Content of ZIP archive AA_trajectory-08.zip ===================================================== Archive: AA_trajectory-08.zip Length Date Time Name --------- ---------- ----- ---- 8237611860 08-15-2018 09:44 AA_trajectory/production/290K/methanol_953.trr --------- ------- 8237611860 1 file ===================================================== Content of ZIP archive AA_trajectory-09.zip ===================================================== Archive: AA_trajectory-09.zip Length Date Time Name --------- ---------- ----- ---- 2364 08-15-2018 09:43 AA_trajectory/production/290K/prod.mdp 212 08-15-2018 09:43 AA_trajectory/production/290K/qsub.sh 1246 08-15-2018 09:44 AA_trajectory/production/290K/run_gmx.sh 453748 08-15-2018 09:44 AA_trajectory/production/290K/state.cpt 453748 08-15-2018 09:44 AA_trajectory/production/290K/state_prev.cpt 0 08-15-2018 09:44 AA_trajectory/production/300K/ 14957 08-15-2018 09:44 AA_trajectory/production/300K/#mdrun-methanol_953.log.1# 540496 08-15-2018 09:44 AA_trajectory/production/300K/AA_potential.xvg 3960 08-15-2018 09:44 AA_trajectory/production/300K/grompp-methanol_953.log 10311 08-15-2018 09:44 AA_trajectory/production/300K/mdout-methanol_953.mdp 10479631 08-15-2018 09:44 AA_trajectory/production/300K/mdrun-methanol_953.log 1224 08-15-2018 09:44 AA_trajectory/production/300K/methanol.itp 0 08-15-2018 09:44 AA_trajectory/production/300K/methanol_300.o6851403 394588 08-15-2018 09:44 AA_trajectory/production/300K/methanol_953.confout.gro 18321172 08-15-2018 09:44 AA_trajectory/production/300K/methanol_953.edr 394588 08-15-2018 09:44 AA_trajectory/production/300K/methanol_953.gro 248 08-15-2018 09:44 AA_trajectory/production/300K/methanol_953.top 292556 08-15-2018 09:44 AA_trajectory/production/300K/methanol_953.tpr --------- ------- 31365049 18 files ===================================================== Content of ZIP archive AA_trajectory-10.zip ===================================================== Archive: AA_trajectory-10.zip Length Date Time Name --------- ---------- ----- ---- 8237611860 08-15-2018 09:44 AA_trajectory/production/300K/methanol_953.trr --------- ------- 8237611860 1 file ===================================================== Content of ZIP archive AA_trajectory-11.zip ===================================================== Archive: AA_trajectory-11.zip Length Date Time Name --------- ---------- ----- ---- 2364 08-15-2018 09:44 AA_trajectory/production/300K/prod.mdp 212 08-15-2018 09:44 AA_trajectory/production/300K/qsub.sh 1246 08-15-2018 09:44 AA_trajectory/production/300K/run_gmx.sh 453748 08-15-2018 09:44 AA_trajectory/production/300K/state.cpt 453748 08-15-2018 09:44 AA_trajectory/production/300K/state_prev.cpt --------- ------- 911318 5 files