===================================================== Content of ZIP archive equilibration.zip ===================================================== Archive: equilibration.zip Length Date Time Name --------- ---------- ----- ---- 0 05-04-2012 11:10 equilibration/ 0 05-04-2012 11:10 equilibration/TPN-equi/ 0 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/ 199461 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/BuOH-Bu.298K.energy.xvg 151 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/BuOH-Bu.298K.top 6665 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/eneconv-BuOH-Bu.298K.log 25474 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/energy.xvg 9156 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/g_energy-BuOH-Bu.298K.log 2618 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/grBuOH-Bu.298K.1.mdp 279808 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/mdBuOH-Bu.298K.1.gro 36825 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/mdBuOH-Bu.298K.1.ndx 1738932 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/mdBuOH-Bu.298K.1.tpr 428956 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/mdBuOH-Bu.298K.2.gro 785484 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/totalBuOH-Bu.298K.edr 149527896 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/totalBuOH-Bu.298K.trr 11148 05-04-2012 11:09 equilibration/TPN-equi/BuOH-Bu/trjcat-BuOH-Bu.298K.log 236340 05-04-2012 11:10 equilibration/TPN-equi/EtOH-BuOH.298K.0.gro 0 05-04-2012 11:10 equilibration/TPN-equi/EtOH-BuOH/ 302064 05-04-2012 11:10 equilibration/TPN-equi/EtOH-BuOH/EtOH-BuOH.298K.energy.xvg 154 05-04-2012 11:09 equilibration/TPN-equi/EtOH-BuOH/EtOH-BuOH.298K.top 4205 05-04-2012 11:10 equilibration/TPN-equi/EtOH-BuOH/butanol_oplsaa.itp 8927 05-04-2012 11:09 equilibration/TPN-equi/EtOH-BuOH/eneconv-EtOH-BuOH.298K.log 38483 05-04-2012 11:09 equilibration/TPN-equi/EtOH-BuOH/energy.xvg 2400 05-04-2012 11:10 equilibration/TPN-equi/EtOH-BuOH/ethanol_oplsaa.itp 9410 05-04-2012 11:09 equilibration/TPN-equi/EtOH-BuOH/g_energy-EtOH-BuOH.298K.log 2618 05-04-2012 11:10 equilibration/TPN-equi/EtOH-BuOH/grEtOH-BuOH.298K.1.mdp 362303 05-04-2012 11:09 equilibration/TPN-equi/EtOH-BuOH/mdEtOH-BuOH.298K.1.gro 30932 05-04-2012 11:09 equilibration/TPN-equi/EtOH-BuOH/mdEtOH-BuOH.298K.1.ndx 1373100 05-04-2012 11:09 equilibration/TPN-equi/EtOH-BuOH/mdEtOH-BuOH.298K.1.tpr 362303 05-04-2012 11:10 equilibration/TPN-equi/EtOH-BuOH/mdEtOH-BuOH.298K.2.gro 1177484 05-04-2012 11:10 equilibration/TPN-equi/EtOH-BuOH/totalEtOH-BuOH.298K.edr 189369120 05-04-2012 11:10 equilibration/TPN-equi/EtOH-BuOH/totalEtOH-BuOH.298K.trr 15106 05-04-2012 11:10 equilibration/TPN-equi/EtOH-BuOH/trjcat-EtOH-BuOH.298K.log 0 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/ 101764 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/EtOH-Et.298K.energy.xvg 151 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/EtOH-Et.298K.top 4333 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/eneconv-EtOH-Et.298K.log 12978 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/energy.xvg 8927 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/g_energy-EtOH-Et.298K.log 2618 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/grEtOH-Et.298K.1.mdp 269368 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/mdEtOH-Et.298K.1.gro 35410 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/mdEtOH-Et.298K.1.ndx 1476316 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/mdEtOH-Et.298K.1.tpr 412948 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/mdEtOH-Et.298K.2.gro 393484 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/totalEtOH-Et.298K.edr 72083544 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/totalEtOH-Et.298K.trr 7224 05-04-2012 11:10 equilibration/TPN-equi/EtOH-Et/trjcat-EtOH-Et.298K.log 0 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/ 200496 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/EtOH-PrOH.298K.energy.xvg 156 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/EtOH-PrOH.298K.top 6664 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/eneconv-EtOH-PrOH.298K.log 25483 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/energy.xvg 9190 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/g_energy-EtOH-PrOH.298K.log 2618 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/grEtOH-PrOH.298K.1.mdp 274140 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/mdEtOH-PrOH.298K.1.gro 36056 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/mdEtOH-PrOH.298K.1.ndx 1579884 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/mdEtOH-PrOH.298K.1.tpr 420264 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/mdEtOH-PrOH.298K.2.gro 785484 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/totalEtOH-PrOH.298K.edr 146499360 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/totalEtOH-PrOH.298K.trr 11156 05-04-2012 11:10 equilibration/TPN-equi/EtOH-PrOH/trjcat-EtOH-PrOH.298K.log 225090 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu.298K.0.gro 0 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/ 297723 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/PrOH-Bu.298K.energy.xvg 154 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/PrOH-Bu.298K.top 3925 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/butane_oplsaa.itp 8919 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/eneconv-PrOH-Bu.298K.log 38472 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/energy.xvg 9431 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/g_energy-PrOH-Bu.298K.log 2618 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/grPrOH-Bu.298K.1.mdp 345053 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/mdPrOH-Bu.298K.1.gro 29407 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/mdPrOH-Bu.298K.1.ndx 1369712 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/mdPrOH-Bu.298K.1.tpr 345053 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/mdPrOH-Bu.298K.2.gro 3304 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/propanol_oplsaa.itp 1177484 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/totalPrOH-Bu.298K.edr 180360120 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/totalPrOH-Bu.298K.trr 15083 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Bu/trjcat-PrOH-Bu.298K.log 0 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/ 201491 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/PrOH-BuOH.298K.energy.xvg 155 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/PrOH-BuOH.298K.top 6662 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/eneconv-PrOH-BuOH.298K.log 25475 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/energy.xvg 9183 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/g_energy-PrOH-BuOH.298K.log 2618 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/grPrOH-BuOH.298K.1.mdp 281970 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/mdPrOH-BuOH.298K.1.gro 37118 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/mdPrOH-BuOH.298K.1.ndx 1719876 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/mdPrOH-BuOH.298K.1.tpr 432270 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/mdPrOH-BuOH.298K.2.gro 785484 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/totalPrOH-BuOH.298K.edr 150681624 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/totalPrOH-BuOH.298K.trr 11156 05-04-2012 11:10 equilibration/TPN-equi/PrOH-BuOH/trjcat-PrOH-BuOH.298K.log 0 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/ 300916 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/PrOH-Pr.298K.energy.xvg 156 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/PrOH-Pr.298K.top 8896 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/eneconv-PrOH-Pr.298K.log 38459 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/energy.xvg 9400 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/g_energy-PrOH-Pr.298K.log 2618 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/grPrOH-Pr.298K.1.mdp 276210 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/mdPrOH-Pr.298K.1.gro 36337 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/mdPrOH-Pr.298K.1.ndx 1640836 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/mdPrOH-Pr.298K.1.tpr 423438 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/mdPrOH-Pr.298K.2.gro 1177484 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/totalPrOH-Pr.298K.edr 221297016 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/totalPrOH-Pr.298K.trr 15078 05-04-2012 11:10 equilibration/TPN-equi/PrOH-Pr/trjcat-PrOH-Pr.298K.log 292 05-04-2012 11:10 equilibration/TPN-equi/gro.sh 0 05-04-2012 11:10 equilibration/TPN-equi/gro/ 279831 05-04-2012 11:10 equilibration/TPN-equi/gro/mdBuOH-Bu.298.1.gro 269391 05-04-2012 11:10 equilibration/TPN-equi/gro/mdEtOH-Et.298.1.gro 274163 05-04-2012 11:10 equilibration/TPN-equi/gro/mdEtOH-PrOH.298.1.gro 281993 05-04-2012 11:10 equilibration/TPN-equi/gro/mdPrOH-BuOH.298.1.gro 276233 05-04-2012 11:10 equilibration/TPN-equi/gro/mdPrOH-Pr.298.1.gro 0 05-04-2012 11:10 equilibration/coordinates/ 0 05-04-2012 11:10 equilibration/coordinates/gro-1molecule/ 717 05-04-2012 11:10 equilibration/coordinates/gro-1molecule/butane-1.gro 760 05-04-2012 11:10 equilibration/coordinates/gro-1molecule/butanol-1.gro 592 05-04-2012 11:10 equilibration/coordinates/gro-1molecule/ethane-1.gro 663 05-04-2012 11:10 equilibration/coordinates/gro-1molecule/ethanol-1.gro 456 05-04-2012 11:10 equilibration/coordinates/gro-1molecule/methanol-1.gro 799 05-04-2012 11:10 equilibration/coordinates/gro-1molecule/propane-1.gro 870 05-04-2012 11:10 equilibration/coordinates/gro-1molecule/propanol-1.gro 0 05-04-2012 11:10 equilibration/coordinates/pdb-1molecule/ 1961 05-04-2012 11:10 equilibration/coordinates/pdb-1molecule/butane-1.pdb 2065 05-04-2012 11:10 equilibration/coordinates/pdb-1molecule/butanol-1.pdb 1366 05-04-2012 11:10 equilibration/coordinates/pdb-1molecule/ethane-1.pdb 1447 05-04-2012 11:10 equilibration/coordinates/pdb-1molecule/ethanol-1.pdb 1204 05-04-2012 11:10 equilibration/coordinates/pdb-1molecule/methanol-1.pdb 1652 05-04-2012 11:10 equilibration/coordinates/pdb-1molecule/propane-1.pdb 1756 05-04-2012 11:10 equilibration/coordinates/pdb-1molecule/propanol-1.pdb 0 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/ 0 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/butane/ 717 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/butane/butane-1.gro 310 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/butane/butane.sh 4638 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/butane/butane.top 397 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/butane/posre.itp 0 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/butanol/ 760 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/butanol/butanol-1.gro 313 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/butanol/butanol.sh 4910 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/butanol/butanol.top 428 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/butanol/posre.itp 0 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/ethane/ 446 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/ethane/ethane-1.gro 310 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/ethane/ethane.sh 2828 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/ethane/ethane.top 335 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/ethane/posre.itp 0 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/ethanol/ 497 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/ethanol/ethanol-1.gro 313 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/ethanol/ethanol.sh 3134 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/ethanol/ethanol.top 366 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/ethanol/posre.itp 0 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/methanol/ 349 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/methanol/methanol-1.gro 316 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/methanol/methanol.sh 2174 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/methanol/methanol.top 335 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/methanol/posre.itp 0 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/propane/ 366 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/propane/posre.itp 597 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/propane/propane-1.gro 313 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/propane/propane.sh 3718 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/propane/propane.top 0 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/propanol/ 397 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/propanol/posre.itp 627 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/propanol/propanol-1.gro 316 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/propanol/propanol.sh 3997 05-04-2012 11:10 equilibration/coordinates/pdb2gmx/propanol/propanol.top 0 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/ 428956 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/butanol_butane.gro 151 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/butanol_butane.top 412948 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/ethanol_ethane.gro 151 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/ethanol_ethane.top 420264 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/ethanol_propanol.gro 156 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/ethanol_propanol.top 423989 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/methanol_ethane.gro 154 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/methanol_ethane.top 416124 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/methanol_propanol.gro 157 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/methanol_propanol.top 432270 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/propanol_butanol.gro 155 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/propanol_butanol.top 423438 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/propanol_propane.gro 156 05-04-2012 11:10 equilibration/coordinates/xj-starting-coordinates/propanol_propane.top 0 05-04-2012 11:10 equilibration/initial-1ns-TVN/ 264 05-04-2012 11:10 equilibration/initial-1ns-TVN/ABOUT 0 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/ 199646 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/BuOH-Bu.298K.energy.xvg 151 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/BuOH-Bu.298K.top 6634 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/eneconv-BuOH-Bu.298K.log 8987 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/g_energy-BuOH-Bu.298K.log 2623 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/grBuOH-Bu.298K.1.mdp 428956 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/mdBuOH-Bu.298K.1.gro 36825 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/mdBuOH-Bu.298K.1.ndx 1738932 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/mdBuOH-Bu.298K.1.tpr 428956 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/mdBuOH-Bu.298K.2.gro 641220 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/totalBuOH-Bu.298K.edr 149527896 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/totalBuOH-Bu.298K.trr 11131 05-04-2012 11:10 equilibration/initial-1ns-TVN/BuOH-Bu/trjcat-BuOH-Bu.298K.log 0 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/ 202471 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/EtOH-Et.298K.energy.xvg 151 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/EtOH-Et.298K.top 6623 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/eneconv-EtOH-Et.298K.log 9013 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/g_energy-EtOH-Et.298K.log 2623 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/grEtOH-Et.298K.1.mdp 412948 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/mdEtOH-Et.298K.1.gro 35410 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/mdEtOH-Et.298K.1.ndx 1476316 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/mdEtOH-Et.298K.1.tpr 412948 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/mdEtOH-Et.298K.2.gro 641220 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/totalEtOH-Et.298K.edr 143951544 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/totalEtOH-Et.298K.trr 11108 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-Et/trjcat-EtOH-Et.298K.log 0 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/ 200713 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/EtOH-PrOH.298K.energy.xvg 156 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/EtOH-PrOH.298K.top 6676 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/eneconv-EtOH-PrOH.298K.log 9024 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/g_energy-EtOH-PrOH.298K.log 2623 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/grEtOH-PrOH.298K.1.mdp 420264 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/mdEtOH-PrOH.298K.1.gro 36056 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/mdEtOH-PrOH.298K.1.ndx 1579884 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/mdEtOH-PrOH.298K.1.tpr 420264 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/mdEtOH-PrOH.298K.2.gro 641220 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/totalEtOH-PrOH.298K.edr 146499360 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/totalEtOH-PrOH.298K.trr 11166 05-04-2012 11:10 equilibration/initial-1ns-TVN/EtOH-PrOH/trjcat-EtOH-PrOH.298K.log 0 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/ 101360 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/PrOH-BuOH.298K.energy.xvg 155 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/PrOH-BuOH.298K.top 4361 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/eneconv-PrOH-BuOH.298K.log 8780 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/g_energy-PrOH-BuOH.298K.log 2623 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/grPrOH-BuOH.298K.1.mdp 432270 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/mdPrOH-BuOH.298K.1.gro 37118 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/mdPrOH-BuOH.298K.1.ndx 1719876 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/mdPrOH-BuOH.298K.1.tpr 432270 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/mdPrOH-BuOH.298K.2.gro 321220 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/totalPrOH-BuOH.298K.edr 75453624 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/totalPrOH-BuOH.298K.trr 7217 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-BuOH/trjcat-PrOH-BuOH.298K.log 0 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/ 199835 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/PrOH-Pr.298K.energy.xvg 156 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/PrOH-Pr.298K.top 6669 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/eneconv-PrOH-Pr.298K.log 9023 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/g_energy-PrOH-Pr.298K.log 2623 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/grPrOH-Pr.298K.1.mdp 423438 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/mdPrOH-Pr.298K.1.gro 36337 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/mdPrOH-Pr.298K.1.ndx 1640836 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/mdPrOH-Pr.298K.1.tpr 423438 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/mdPrOH-Pr.298K.2.gro 641220 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/totalPrOH-Pr.298K.edr 147605016 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/totalPrOH-Pr.298K.trr 11149 05-04-2012 11:10 equilibration/initial-1ns-TVN/PrOH-Pr/trjcat-PrOH-Pr.298K.log 0 05-04-2012 11:11 equilibration/md/ 0 05-04-2012 11:11 equilibration/md/1-molec-md/ 0 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/ 592 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/confout.gro 1220 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/ener.edr 446 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/ethane-1.gro 2600 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/ethane-1.mdp 93 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/ethane-1.top 2122 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/ethane_oplsaa.itp 146 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/gmx.sh 12065 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/md.log 8959 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/mdout.mdp 81176 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/topol.tpr 312 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/traj.trr 152152 05-04-2012 11:11 equilibration/md/1-molec-md/ethane/traj.xtc 0 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/ 663 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/confout.gro 1220 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/ener.edr 497 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/ethanol-1.gro 2600 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/ethanol-1.mdp 98 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/ethanol-1.top 2400 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/ethanol_oplsaa.itp 146 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/gmx.sh 12218 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/md.log 8959 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/mdout.mdp 81900 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/topol.tpr 336 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/traj.trr 164164 05-04-2012 11:11 equilibration/md/1-molec-md/ethanol/traj.xtc 0 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/ 456 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/confout.gro 1220 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/ener.edr 146 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/gmx.sh 12073 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/md.log 8959 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/mdout.mdp 349 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/methanol-1.gro 2600 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/methanol-1.mdp 99 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/methanol-1.top 1500 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/methanol_oplsaa.itp 80700 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/topol.tpr 264 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/traj.trr 128128 05-04-2012 11:11 equilibration/md/1-molec-md/methanol/traj.xtc 0 05-04-2012 11:11 equilibration/md/1-molec-md/propane/ 799 05-04-2012 11:11 equilibration/md/1-molec-md/propane/confout.gro 1220 05-04-2012 11:11 equilibration/md/1-molec-md/propane/ener.edr 146 05-04-2012 11:11 equilibration/md/1-molec-md/propane/gmx.sh 12226 05-04-2012 11:11 equilibration/md/1-molec-md/propane/md.log 8959 05-04-2012 11:11 equilibration/md/1-molec-md/propane/mdout.mdp 597 05-04-2012 11:11 equilibration/md/1-molec-md/propane/propane-1.gro 2600 05-04-2012 11:11 equilibration/md/1-molec-md/propane/propane-1.mdp 94 05-04-2012 11:11 equilibration/md/1-molec-md/propane/propane-1.top 3025 05-04-2012 11:11 equilibration/md/1-molec-md/propane/propane_oplsaa.itp 82188 05-04-2012 11:11 equilibration/md/1-molec-md/propane/topol.tpr 384 05-04-2012 11:11 equilibration/md/1-molec-md/propane/traj.trr 132132 05-04-2012 11:11 equilibration/md/1-molec-md/propane/traj.xtc 0 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/ 870 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/confout.gro 1220 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/ener.edr 146 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/gmx.sh 12296 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/md.log 8959 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/mdout.mdp 627 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/propanol-1.gro 2600 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/propanol-1.mdp 99 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/propanol-1.top 3304 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/propanol_oplsaa.itp 83012 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/topol.tpr 408 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/traj.trr 136176 05-04-2012 11:11 equilibration/md/1-molec-md/propanol/traj.xtc 530 05-04-2012 11:11 equilibration/md/1-molec-md/top.sh 0 05-04-2012 11:11 equilibration/md/box_2.0/ 150 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane.top 0 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ 51664 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/confout.gro 1220 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener.edr 0 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/ 33712 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/confout.gro 4939524 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/ener.edr 2122 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/ethane_oplsaa.itp 33706 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/ethanol_ethane.gro 2605 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/ethanol_ethane.mdp 150 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/ethanol_ethane.top 2400 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/ethanol_oplsaa.itp 146 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/gmx.sh 4485657 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/md.log 8963 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/mdout.mdp 252520 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/topol.tpr 18072 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ener_min/traj.trr 477 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/energy.xvg 2122 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ethane_oplsaa.itp 33712 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ethanol_ethane.gro 2602 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ethanol_ethane.mdp 150 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ethanol_ethane.top 2400 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/ethanol_oplsaa.itp 146 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/gmx.sh 12296 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/md.log 8960 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/mdout.mdp 0 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/start/ 2122 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/start/ethane_oplsaa.itp 33712 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/start/ethanol_ethane.gro 2602 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/start/ethanol_ethane.mdp 150 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/start/ethanol_ethane.top 2400 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/start/ethanol_oplsaa.itp 146 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/start/gmx.sh 252520 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/topol.tpr 18072 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/traj.trr 274380 05-04-2012 11:11 equilibration/md/box_2.0/ethanol_ethane/traj.xtc 152 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane.top 0 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/ 53045 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/confout.gro 1220 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/ener.edr 2122 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/ethane_oplsaa.itp 146 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/gmx.sh 12286 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/md.log 8960 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/mdout.mdp 34606 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/methanol_ethane.gro 2602 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/methanol_ethane.mdp 152 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/methanol_ethane.top 1500 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/methanol_oplsaa.itp 235148 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/topol.tpr 18552 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/traj.trr 281876 05-04-2012 11:11 equilibration/md/box_2.0/methanol_ethane/traj.xtc 0 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ 52977 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/confout.gro 0 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/ 34569 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/confout.gro 4938900 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/ener.edr 146 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/gmx.sh 4485223 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/md.log 8963 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/mdout.mdp 3025 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/propane_oplsaa.itp 3304 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/propanol_oplsaa.itp 34561 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/propanol_propane.gro 2605 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/propanol_propane.mdp 154 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/propanol_propane.top 275108 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/topol.tpr 18528 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ene_min/traj.trr 1220 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/ener.edr 146 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/gmx.sh 12297 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/md.log 8960 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/mdout.mdp 3025 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/propane_oplsaa.itp 3304 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/propanol_oplsaa.itp 34569 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/propanol_propane.gro 2602 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/propanol_propane.mdp 154 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/propanol_propane.top 0 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/start/ 146 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/start/gmx.sh 3025 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/start/propane_oplsaa.itp 3304 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/start/propanol_oplsaa.itp 34569 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/start/propanol_propane.gro 2602 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/start/propanol_propane.mdp 154 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/start/propanol_propane.top 275108 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/topol.tpr 18528 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/traj.trr 304700 05-04-2012 11:11 equilibration/md/box_2.0/propanol-propane/traj.xtc 154 05-04-2012 11:11 equilibration/md/box_2.0/propanol_propane.top 0 05-04-2012 11:11 equilibration/md/box_4.0/ 0 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/ 3925 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/butane_oplsaa.itp 279767 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/butanol_butane.gro 2606 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/butanol_butane.mdp 151 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/butanol_butane.top 4205 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/butanol_oplsaa.itp 4939524 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/ener.edr 146 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/gmx.sh 4485673 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md.log 0 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/ 3925 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/butane_oplsaa.itp 279772 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/butanol_butane.gro 2602 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/butanol_butane.mdp 151 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/butanol_butane.top 4205 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/butanol_oplsaa.itp 428956 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/confout.gro 1220 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/ener.edr 146 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/gmx.sh 12297 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/md.log 8960 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/mdout.mdp 1738932 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/topol.tpr 7620504 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/traj.trr 258148 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/md/traj.xtc 8964 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/mdout.mdp 1738932 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/topol.tpr 59246496 05-04-2012 11:11 equilibration/md/box_4.0/butanol_butane/traj.trr 0 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/ 269332 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/confout.gro 4939524 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/ener.edr 2122 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/ethane_oplsaa.itp 269327 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/ethanol_ethane.gro 2606 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/ethanol_ethane.mdp 151 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/ethanol_ethane.top 2400 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/ethanol_oplsaa.itp 146 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/gmx.sh 4485676 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md.log 0 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/ 412948 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/confout.gro 1220 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/ener.edr 2122 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/ethane_oplsaa.itp 269332 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/ethanol_ethane.gro 2602 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/ethanol_ethane.mdp 151 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/ethanol_ethane.top 2400 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/ethanol_oplsaa.itp 146 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/gmx.sh 12292 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/md.log 8960 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/mdout.mdp 1461084 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/topol.tpr 7336536 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/traj.trr 233724 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/md/traj.xtc 8964 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/mdout.mdp 1461084 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/topol.tpr 57038784 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_ethane/traj.trr 0 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/ 274104 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/confout.gro 4939524 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/ener.edr 2400 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/ethanol_oplsaa.itp 274097 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/ethanol_propanol.gro 2608 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/ethanol_propanol.mdp 156 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/ethanol_propanol.top 146 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/gmx.sh 4485663 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md.log 0 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/ 420264 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/confout.gro 1220 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/ener.edr 2400 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/ethanol_oplsaa.itp 274104 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/ethanol_propanol.gro 2602 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/ethanol_propanol.mdp 156 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/ethanol_propanol.top 146 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/gmx.sh 12294 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/md.log 8960 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/mdout.mdp 3304 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/propanol_oplsaa.itp 1579884 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/topol.tpr 7466280 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/traj.trr 248748 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/md/traj.xtc 8966 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/mdout.mdp 3304 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/propanol_oplsaa.itp 1579884 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/topol.tpr 658680 05-04-2012 11:10 equilibration/md/box_4.0/ethanol_propanol/traj.trr 0 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/ 2081 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/#md.log.1# 8964 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/#mdout.mdp.1# 4205 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/butanol_oplsaa.itp 4938900 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/ener.edr 146 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/gmx.sh 4485219 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/md.log 0 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/ 4205 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/butanol_oplsaa.itp 432270 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/confout.gro 1220 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/ener.edr 146 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/gmx.sh 12300 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/md.log 8960 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/mdout.mdp 281934 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/md/propanol_butanol.gro 2602 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/md/propanol_butanol.mdp 155 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/propanol_butanol.top 3304 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/propanol_oplsaa.itp 1719876 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/topol.tpr 7679256 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/traj.trr 261980 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/md/traj.xtc 8964 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/mdout.mdp 281927 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/propanol_butanol.gro 2606 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/propanol_butanol.mdp 155 05-04-2012 11:11 equilibration/md/box_4.0/propanol_butanol/propanol_butanol.top 3304 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/propanol_oplsaa.itp 1719876 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/topol.tpr 59703264 05-04-2012 11:10 equilibration/md/box_4.0/propanol_butanol/traj.trr 0 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/ 276174 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/confout.gro 4939524 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/ener.edr 146 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/gmx.sh 4485680 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md.log 0 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/ 423438 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/confout.gro 1220 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/ener.edr 146 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/gmx.sh 12300 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/md.log 8960 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/mdout.mdp 3025 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/propane_oplsaa.itp 3304 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/propanol_oplsaa.itp 276174 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/propanol_propane.gro 2602 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/propanol_propane.mdp 156 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/propanol_propane.top 1640836 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/topol.tpr 7522584 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/traj.trr 259152 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/md/traj.xtc 8966 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/mdout.mdp 3025 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/propane_oplsaa.itp 3304 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/propanol_oplsaa.itp 276167 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/propanol_propane.gro 2608 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/propanol_propane.mdp 156 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/propanol_propane.top 1640836 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/topol.tpr 663648 05-04-2012 11:10 equilibration/md/box_4.0/propanol_propane/traj.trr --------- ------- 2127129572 539 files