===================================================== Content of ZIP archive temp.zip ===================================================== Archive: temp.zip Length Date Time Name --------- ---------- ----- ---- 0 05-04-2012 11:55 temp/ 0 05-04-2012 11:55 temp/BuOH_0-Bu100/ 239444 05-04-2012 11:55 temp/BuOH_0-Bu100/BuOH_0-Bu_100.298K.gro 2608 05-04-2012 11:55 temp/BuOH_0-Bu100/BuOH_0-Bu_100.298K.mdp 101 05-04-2012 11:55 temp/BuOH_0-Bu100/BuOH_0-Bu_100.298K.top 1491612 05-04-2012 11:55 temp/BuOH_0-Bu100/BuOH_0-Bu_100.298K.tpr 12971640 05-04-2012 11:55 temp/BuOH_0-Bu100/BuOH_0-Bu_100.298K.trr 3925 05-04-2012 11:55 temp/BuOH_0-Bu100/butane_oplsaa.itp 4205 05-04-2012 11:55 temp/BuOH_0-Bu100/butanol_oplsaa.itp 367124 05-04-2012 11:55 temp/BuOH_0-Bu100/confout.gro 79884 05-04-2012 11:55 temp/BuOH_0-Bu100/ener.edr 287 05-04-2012 11:55 temp/BuOH_0-Bu100/gmx.sh 67026 05-04-2012 11:55 temp/BuOH_0-Bu100/md.log 8984 05-04-2012 11:55 temp/BuOH_0-Bu100/mdout.mdp 0 05-04-2012 11:55 temp/BuOH_0-Bu100/start/ 239444 05-04-2012 11:55 temp/BuOH_0-Bu100/start/BuOH_0-Bu_100.298K.gro 2624 05-04-2012 11:55 temp/BuOH_0-Bu100/start/BuOH_0-Bu_100.298K.mdp 101 05-04-2012 11:55 temp/BuOH_0-Bu100/start/BuOH_0-Bu_100.298K.top 3925 05-04-2012 11:55 temp/BuOH_0-Bu100/start/butane_oplsaa.itp 4205 05-04-2012 11:55 temp/BuOH_0-Bu100/start/butanol_oplsaa.itp 287 05-04-2012 11:55 temp/BuOH_0-Bu100/start/gmx.sh 0 05-04-2012 11:55 temp/BuOH_100-Bu_0/ 283545 05-04-2012 11:55 temp/BuOH_100-Bu_0/BuOH.298K.gro 2616 05-04-2012 11:55 temp/BuOH_100-Bu_0/BuOH.298K.mdp 103 05-04-2012 11:55 temp/BuOH_100-Bu_0/BuOH.298K.top 1763424 05-04-2012 11:55 temp/BuOH_100-Bu_0/BuOH.298K.tpr 378240 05-04-2012 11:55 temp/BuOH_100-Bu_0/BuOH.298K.trr 3925 05-04-2012 11:55 temp/BuOH_100-Bu_0/butane_oplsaa.itp 4205 05-04-2012 11:55 temp/BuOH_100-Bu_0/butanol_oplsaa.itp 434745 05-04-2012 11:55 temp/BuOH_100-Bu_0/confout.gro 2268 05-04-2012 11:55 temp/BuOH_100-Bu_0/ener.edr 287 05-04-2012 11:55 temp/BuOH_100-Bu_0/gmx.sh 13547 05-04-2012 11:55 temp/BuOH_100-Bu_0/md.log 8992 05-04-2012 11:55 temp/BuOH_100-Bu_0/mdout.mdp 0 05-04-2012 11:55 temp/BuOH_100-Bu_0/start/ 283545 05-04-2012 11:55 temp/BuOH_100-Bu_0/start/BuOH.298K.gro 2624 05-04-2012 11:55 temp/BuOH_100-Bu_0/start/BuOH.298K.mdp 103 05-04-2012 11:55 temp/BuOH_100-Bu_0/start/BuOH.298K.top 3925 05-04-2012 11:55 temp/BuOH_100-Bu_0/start/butane_oplsaa.itp 4205 05-04-2012 11:55 temp/BuOH_100-Bu_0/start/butanol_oplsaa.itp 287 05-04-2012 11:55 temp/BuOH_100-Bu_0/start/gmx.sh 0 05-04-2012 11:55 temp/BuOH_33-Bu_66/ 251602 05-04-2012 11:55 temp/BuOH_33-Bu_66/BuOH_33-Bu_66.gro 2608 05-04-2012 11:55 temp/BuOH_33-Bu_66/BuOH_33-Bu_66.mdp 150 05-04-2012 11:55 temp/BuOH_33-Bu_66/BuOH_33-Bu_66.top 1567300 05-04-2012 11:55 temp/BuOH_33-Bu_66/BuOH_33-Bu_66.tpr 13629360 05-04-2012 11:55 temp/BuOH_33-Bu_66/BuOH_33-Bu_66.trr 3925 05-04-2012 11:55 temp/BuOH_33-Bu_66/butane_oplsaa.itp 4205 05-04-2012 11:55 temp/BuOH_33-Bu_66/butanol_oplsaa.itp 385762 05-04-2012 11:55 temp/BuOH_33-Bu_66/confout.gro 79884 05-04-2012 11:55 temp/BuOH_33-Bu_66/ener.edr 287 05-04-2012 11:55 temp/BuOH_33-Bu_66/gmx.sh 67139 05-04-2012 11:55 temp/BuOH_33-Bu_66/md.log 8984 05-04-2012 11:55 temp/BuOH_33-Bu_66/mdout.mdp 0 05-04-2012 11:55 temp/BuOH_33-Bu_66/start/ 251602 05-04-2012 11:55 temp/BuOH_33-Bu_66/start/BuOH_33-Bu_66.gro 2620 05-04-2012 11:55 temp/BuOH_33-Bu_66/start/BuOH_33-Bu_66.mdp 150 05-04-2012 11:55 temp/BuOH_33-Bu_66/start/BuOH_33-Bu_66.top 3925 05-04-2012 11:55 temp/BuOH_33-Bu_66/start/butane_oplsaa.itp 4205 05-04-2012 11:55 temp/BuOH_33-Bu_66/start/butanol_oplsaa.itp 287 05-04-2012 11:55 temp/BuOH_33-Bu_66/start/gmx.sh 0 05-04-2012 11:55 temp/BuOH_66-Bu_33/ 263392 05-04-2012 11:55 temp/BuOH_66-Bu_33/BuOH_66-Bu_33.gro 2612 05-04-2012 11:55 temp/BuOH_66-Bu_33/BuOH_66-Bu_33.mdp 150 05-04-2012 11:55 temp/BuOH_66-Bu_33/BuOH_66-Bu_33.top 1640456 05-04-2012 11:55 temp/BuOH_66-Bu_33/BuOH_66-Bu_33.tpr 1616472 05-04-2012 11:55 temp/BuOH_66-Bu_33/BuOH_66-Bu_33.trr 3925 05-04-2012 11:55 temp/BuOH_66-Bu_33/butane_oplsaa.itp 4205 05-04-2012 11:55 temp/BuOH_66-Bu_33/butanol_oplsaa.itp 403840 05-04-2012 11:55 temp/BuOH_66-Bu_33/confout.gro 9324 05-04-2012 11:55 temp/BuOH_66-Bu_33/ener.edr 287 05-04-2012 11:55 temp/BuOH_66-Bu_33/gmx.sh 18437 05-04-2012 11:55 temp/BuOH_66-Bu_33/md.log 8988 05-04-2012 11:55 temp/BuOH_66-Bu_33/mdout.mdp 0 05-04-2012 11:55 temp/BuOH_66-Bu_33/start/ 263392 05-04-2012 11:55 temp/BuOH_66-Bu_33/start/BuOH_66-Bu_33.gro 2620 05-04-2012 11:55 temp/BuOH_66-Bu_33/start/BuOH_66-Bu_33.mdp 150 05-04-2012 11:55 temp/BuOH_66-Bu_33/start/BuOH_66-Bu_33.top 3925 05-04-2012 11:55 temp/BuOH_66-Bu_33/start/butane_oplsaa.itp 4205 05-04-2012 11:55 temp/BuOH_66-Bu_33/start/butanol_oplsaa.itp 287 05-04-2012 11:55 temp/BuOH_66-Bu_33/start/gmx.sh 0 05-04-2012 11:55 temp/cgEtOH-Et/ 2145 05-04-2012 11:55 temp/cgEtOH-Et/#md.log.1# 2127 05-04-2012 11:55 temp/cgEtOH-Et/#md.log.2# 2113 05-04-2012 11:55 temp/cgEtOH-Et/#md.log.3# 2109 05-04-2012 11:55 temp/cgEtOH-Et/#md.log.4# 2211 05-04-2012 11:55 temp/cgEtOH-Et/#md.log.5# 9076 05-04-2012 11:55 temp/cgEtOH-Et/#mdout.mdp.1# 9076 05-04-2012 11:55 temp/cgEtOH-Et/#mdout.mdp.2# 9076 05-04-2012 11:55 temp/cgEtOH-Et/#mdout.mdp.3# 110212 05-04-2012 11:55 temp/cgEtOH-Et/cgEtOH-Et.gro 2707 05-04-2012 11:55 temp/cgEtOH-Et/cgEtOH-Et.mdp 4203 05-04-2012 11:55 temp/cgEtOH-Et/cgEtOH-Et.top 460596 05-04-2012 11:55 temp/cgEtOH-Et/cgEtOH-Et.tpr 970728 05-04-2012 11:55 temp/cgEtOH-Et/cgEtOH-Et.trr 168957 05-04-2012 11:55 temp/cgEtOH-Et/confout.gro 10736 05-04-2012 11:55 temp/cgEtOH-Et/ener.edr 312 05-04-2012 11:55 temp/cgEtOH-Et/gmx.sh 16806 05-04-2012 11:55 temp/cgEtOH-Et/md.log 9035 05-04-2012 11:55 temp/cgEtOH-Et/mdout.mdp 0 05-04-2012 11:55 temp/cgEtOH-Et/start/ 110212 05-04-2012 11:55 temp/cgEtOH-Et/start/cgEtOH-Et.gro 2757 05-04-2012 11:55 temp/cgEtOH-Et/start/cgEtOH-Et.mdp 4203 05-04-2012 11:55 temp/cgEtOH-Et/start/cgEtOH-Et.top 327 05-04-2012 11:55 temp/cgEtOH-Et/start/gmx.sh 9664 05-04-2012 11:55 temp/cgEtOH-Et/start/table.xvg 49108 05-04-2012 11:55 temp/cgEtOH-Et/start/table_CH2O_CH2.xvg 49004 05-04-2012 11:55 temp/cgEtOH-Et/start/table_CH2O_CH2O.xvg 48973 05-04-2012 11:55 temp/cgEtOH-Et/start/table_CH2O_CH3.xvg 48986 05-04-2012 11:55 temp/cgEtOH-Et/start/table_CH2_CH2.xvg 49089 05-04-2012 11:55 temp/cgEtOH-Et/start/table_CH2_CH3.xvg 49076 05-04-2012 11:55 temp/cgEtOH-Et/start/table_CH3_CH3.xvg 48997 05-04-2012 11:55 temp/cgEtOH-Et/start/table_H_CH2.xvg 48848 05-04-2012 11:55 temp/cgEtOH-Et/start/table_H_CH2O.xvg 48718 05-04-2012 11:55 temp/cgEtOH-Et/start/table_H_CH3.xvg 48993 05-04-2012 11:55 temp/cgEtOH-Et/start/table_H_H.xvg 49855 05-04-2012 11:55 temp/cgEtOH-Et/start/table_H_O.xvg 49100 05-04-2012 11:55 temp/cgEtOH-Et/start/table_O_CH2.xvg 49629 05-04-2012 11:55 temp/cgEtOH-Et/start/table_O_CH2O.xvg 49216 05-04-2012 11:55 temp/cgEtOH-Et/start/table_O_CH3.xvg 49379 05-04-2012 11:55 temp/cgEtOH-Et/start/table_O_O.xvg 24850 05-04-2012 11:55 temp/cgEtOH-Et/start/table_index.ndx 9664 05-04-2012 11:55 temp/cgEtOH-Et/table.xvg 49108 05-04-2012 11:55 temp/cgEtOH-Et/table_CH2O_CH2.xvg 49004 05-04-2012 11:55 temp/cgEtOH-Et/table_CH2O_CH2O.xvg 48973 05-04-2012 11:55 temp/cgEtOH-Et/table_CH2O_CH3.xvg 48986 05-04-2012 11:55 temp/cgEtOH-Et/table_CH2_CH2.xvg 49089 05-04-2012 11:55 temp/cgEtOH-Et/table_CH2_CH3.xvg 49076 05-04-2012 11:55 temp/cgEtOH-Et/table_CH3_CH3.xvg 48997 05-04-2012 11:55 temp/cgEtOH-Et/table_H_CH2.xvg 48848 05-04-2012 11:55 temp/cgEtOH-Et/table_H_CH2O.xvg 48718 05-04-2012 11:55 temp/cgEtOH-Et/table_H_CH3.xvg 48993 05-04-2012 11:55 temp/cgEtOH-Et/table_H_H.xvg 49855 05-04-2012 11:55 temp/cgEtOH-Et/table_H_O.xvg 49100 05-04-2012 11:55 temp/cgEtOH-Et/table_O_CH2.xvg 49629 05-04-2012 11:55 temp/cgEtOH-Et/table_O_CH2O.xvg 49216 05-04-2012 11:55 temp/cgEtOH-Et/table_O_CH3.xvg 49379 05-04-2012 11:55 temp/cgEtOH-Et/table_O_O.xvg 24850 05-04-2012 11:55 temp/cgEtOH-Et/table_index.ndx 102296 05-04-2012 11:55 temp/cgEtOH-Et/traj.xtc 0 05-04-2012 11:55 temp/cgEtOH-PrOH/ 2114 05-04-2012 11:55 temp/cgEtOH-PrOH/#md.log.1# 117502 05-04-2012 11:55 temp/cgEtOH-PrOH/EtOH-PrOH.gro 2742 05-04-2012 11:55 temp/cgEtOH-PrOH/EtOH-PrOH.mdp 4635 05-04-2012 11:55 temp/cgEtOH-PrOH/EtOH-PrOH.top 503776 05-04-2012 11:55 temp/cgEtOH-PrOH/EtOH-PrOH.tpr 9502080 05-04-2012 11:55 temp/cgEtOH-PrOH/EtOH-PrOH.trr 180137 05-04-2012 11:55 temp/cgEtOH-PrOH/confout.gro 107728 05-04-2012 11:55 temp/cgEtOH-PrOH/ener.edr 313 05-04-2012 11:55 temp/cgEtOH-PrOH/gmx.sh 55442 05-04-2012 11:55 temp/cgEtOH-PrOH/md.log 9070 05-04-2012 11:55 temp/cgEtOH-PrOH/mdout.mdp 0 05-04-2012 11:55 temp/cgEtOH-PrOH/start/ 117502 05-04-2012 11:55 temp/cgEtOH-PrOH/start/EtOH-PrOH.gro 2742 05-04-2012 11:55 temp/cgEtOH-PrOH/start/EtOH-PrOH.mdp 4635 05-04-2012 11:55 temp/cgEtOH-PrOH/start/EtOH-PrOH.top 327 05-04-2012 11:55 temp/cgEtOH-PrOH/start/gmx.sh 9664 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table.xvg 49108 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_CH2O_CH2.xvg 49004 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_CH2O_CH2O.xvg 48973 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_CH2O_CH3.xvg 48986 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_CH2_CH2.xvg 49089 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_CH2_CH3.xvg 49076 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_CH3_CH3.xvg 48997 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_H_CH2.xvg 48848 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_H_CH2O.xvg 48718 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_H_CH3.xvg 48993 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_H_H.xvg 49855 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_H_O.xvg 49100 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_O_CH2.xvg 49629 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_O_CH2O.xvg 49216 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_O_CH3.xvg 49379 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_O_O.xvg 26499 05-04-2012 11:55 temp/cgEtOH-PrOH/start/table_index.ndx 9664 05-04-2012 11:55 temp/cgEtOH-PrOH/table.xvg 49108 05-04-2012 11:55 temp/cgEtOH-PrOH/table_CH2O_CH2.xvg 49004 05-04-2012 11:55 temp/cgEtOH-PrOH/table_CH2O_CH2O.xvg 48973 05-04-2012 11:55 temp/cgEtOH-PrOH/table_CH2O_CH3.xvg 48986 05-04-2012 11:55 temp/cgEtOH-PrOH/table_CH2_CH2.xvg 49089 05-04-2012 11:55 temp/cgEtOH-PrOH/table_CH2_CH3.xvg 49076 05-04-2012 11:55 temp/cgEtOH-PrOH/table_CH3_CH3.xvg 48997 05-04-2012 11:55 temp/cgEtOH-PrOH/table_H_CH2.xvg 48848 05-04-2012 11:55 temp/cgEtOH-PrOH/table_H_CH2O.xvg 48718 05-04-2012 11:55 temp/cgEtOH-PrOH/table_H_CH3.xvg 48993 05-04-2012 11:55 temp/cgEtOH-PrOH/table_H_H.xvg 49855 05-04-2012 11:55 temp/cgEtOH-PrOH/table_H_O.xvg 49100 05-04-2012 11:55 temp/cgEtOH-PrOH/table_O_CH2.xvg 49629 05-04-2012 11:55 temp/cgEtOH-PrOH/table_O_CH2O.xvg 49216 05-04-2012 11:55 temp/cgEtOH-PrOH/table_O_CH3.xvg 49379 05-04-2012 11:55 temp/cgEtOH-PrOH/table_O_O.xvg 26499 05-04-2012 11:55 temp/cgEtOH-PrOH/table_index.ndx 991496 05-04-2012 11:55 temp/cgEtOH-PrOH/traj.xtc 0 05-04-2012 11:55 temp/cgPrOH-Pr/ 107692 05-04-2012 11:55 temp/cgPrOH-Pr/cgPrOH-Pr.gro 2742 05-04-2012 11:55 temp/cgPrOH-Pr/cgPrOH-Pr.mdp 3905 05-04-2012 11:55 temp/cgPrOH-Pr/cgPrOH-Pr.top 468764 05-04-2012 11:55 temp/cgPrOH-Pr/cgPrOH-Pr.tpr 8709432 05-04-2012 11:55 temp/cgPrOH-Pr/cgPrOH-Pr.trr 165093 05-04-2012 11:55 temp/cgPrOH-Pr/confout.gro 107728 05-04-2012 11:55 temp/cgPrOH-Pr/ener.edr 313 05-04-2012 11:55 temp/cgPrOH-Pr/gmx.sh 55448 05-04-2012 11:55 temp/cgPrOH-Pr/md.log 9070 05-04-2012 11:55 temp/cgPrOH-Pr/mdout.mdp 0 05-04-2012 11:55 temp/cgPrOH-Pr/start/ 107692 05-04-2012 11:55 temp/cgPrOH-Pr/start/cgPrOH-Pr.gro 2742 05-04-2012 11:55 temp/cgPrOH-Pr/start/cgPrOH-Pr.mdp 3905 05-04-2012 11:55 temp/cgPrOH-Pr/start/cgPrOH-Pr.top 313 05-04-2012 11:55 temp/cgPrOH-Pr/start/gmx.sh 9664 05-04-2012 11:55 temp/cgPrOH-Pr/start/table.xvg 49108 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_CH2O_CH2.xvg 49004 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_CH2O_CH2O.xvg 48973 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_CH2O_CH3.xvg 48986 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_CH2_CH2.xvg 49089 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_CH2_CH3.xvg 49076 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_CH3_CH3.xvg 48997 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_H_CH2.xvg 48848 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_H_CH2O.xvg 48718 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_H_CH3.xvg 48993 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_H_H.xvg 49855 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_H_O.xvg 49100 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_O_CH2.xvg 49629 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_O_CH2O.xvg 49216 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_O_CH3.xvg 49379 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_O_O.xvg 24289 05-04-2012 11:55 temp/cgPrOH-Pr/start/table_index.ndx 9664 05-04-2012 11:55 temp/cgPrOH-Pr/table.xvg 49108 05-04-2012 11:55 temp/cgPrOH-Pr/table_CH2O_CH2.xvg 49004 05-04-2012 11:55 temp/cgPrOH-Pr/table_CH2O_CH2O.xvg 48973 05-04-2012 11:55 temp/cgPrOH-Pr/table_CH2O_CH3.xvg 48986 05-04-2012 11:55 temp/cgPrOH-Pr/table_CH2_CH2.xvg 49089 05-04-2012 11:55 temp/cgPrOH-Pr/table_CH2_CH3.xvg 49076 05-04-2012 11:55 temp/cgPrOH-Pr/table_CH3_CH3.xvg 48997 05-04-2012 11:55 temp/cgPrOH-Pr/table_H_CH2.xvg 48848 05-04-2012 11:55 temp/cgPrOH-Pr/table_H_CH2O.xvg 48718 05-04-2012 11:55 temp/cgPrOH-Pr/table_H_CH3.xvg 48993 05-04-2012 11:55 temp/cgPrOH-Pr/table_H_H.xvg 49855 05-04-2012 11:55 temp/cgPrOH-Pr/table_H_O.xvg 49100 05-04-2012 11:55 temp/cgPrOH-Pr/table_O_CH2.xvg 49629 05-04-2012 11:55 temp/cgPrOH-Pr/table_O_CH2O.xvg 49216 05-04-2012 11:55 temp/cgPrOH-Pr/table_O_CH3.xvg 49379 05-04-2012 11:55 temp/cgPrOH-Pr/table_O_O.xvg 24289 05-04-2012 11:55 temp/cgPrOH-Pr/table_index.ndx 918688 05-04-2012 11:55 temp/cgPrOH-Pr/traj.xtc --------- ------- 68097548 243 files