===================================================== Content of ZIP archive methanol-ref-01.zip ===================================================== Archive: methanol-ref-01.zip Length Date Time Name --------- ---------- ----- ---- 0 05-04-2012 14:07 methanol-ref/ 0 05-04-2012 13:44 methanol-ref/AA-mapping/ 0 05-04-2012 13:39 methanol-ref/AA-mapping/1.0-6.0ns/ 0 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/ 0 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/ 611 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/CGMap.sh 414047 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/Methanol.ref.gro 1080600000 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/Methanol.ref.trr 45053 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/cgMethanol.gro 1886 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/cgMethanol.mdp 498 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/cgMethanol.top 200740 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/cgMethanol.tpr 180600000 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/cgMethanol.trr 113124 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/mapMethanol.top 8973 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/mdout.mdp 0 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/start/ 611 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/start/CGMap.sh 45053 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/start/cgMethanol.gro 1886 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/start/cgMethanol.mdp 498 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/start/cgMethanol.top 113124 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/Methanol/start/mapMethanol.top 0 05-04-2012 13:39 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methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/cgMethanolSPH2.gro 1886 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/cgMethanolSPH2.mdp 776 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/cgMethanolSPH2.top 200908 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/cgMethanolSPH2.tpr 180780000 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/cgMethanolSPH2.trr 113171 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/mapMethanolSPH2.top 8973 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/mdout.mdp 0 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/start/ 615 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/start/CGMap.sh 45097 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/start/cgMethanolSPH2.gro 1886 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/start/cgMethanolSPH2.mdp 776 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/start/cgMethanolSPH2.top 113171 05-04-2012 13:37 methanol-ref/AA-mapping/1.0-6.0ns/1-site/MethanolSPH2/start/mapMethanolSPH2.top 0 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/ 0 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/Methanol/ 510 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/Methanol/calc_rdf.sh 165 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/Methanol/clean.sh 0 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/Methanol/index_files/ 10153 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/Methanol/index_files/cgMethanol.1000-3500.ndx 10153 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/Methanol/index_files/cgMethanol.1000-6000.ndx 10153 05-04-2012 13:38 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methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGM-CGM.DispCorrect.1000-3500.xvg 11655 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGM-CGM.DispCorrect.1000-6000.xvg 11660 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGM-CGM.DispCorrect.3500-6000.xvg 4970 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.SPH-CGM.DispCorrect.1000-3500.xvg 4990 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.SPH-CGM.DispCorrect.1000-6000.xvg 4973 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.SPH-CGM.DispCorrect.3500-6000.xvg 197 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH/run_calc.sh 0 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/ 708 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/calc_rdf.sh 165 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/clean.sh 0 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/index_files/ 10172 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/index_files/cgMethanolSPH2.1000-3500.ndx 10172 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/index_files/cgMethanolSPH2.1000-6000.ndx 10172 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/index_files/cgMethanolSPH2.3500-6000.ndx 0 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/log_files/ 6046 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/log_files/rdf.mapped.CGM-CGM.DispCorrect.1000-3500.log 6122 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/log_files/rdf.mapped.CGM-CGM.DispCorrect.1000-6000.log 6125 05-04-2012 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methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/rdf_files/rdf.mapped.CGM-CGM.DispCorrect.3500-6000.xvg 5007 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/rdf_files/rdf.mapped.SPH-CGM.DispCorrect.1000-3500.xvg 5007 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/rdf_files/rdf.mapped.SPH-CGM.DispCorrect.1000-6000.xvg 4994 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/rdf_files/rdf.mapped.SPH-CGM.DispCorrect.3500-6000.xvg 198 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/MethanolSPH2/run_calc.sh 103 05-04-2012 13:38 methanol-ref/AA-mapping/1.0-6.0ns/1-site/rdfs/run_rdf_calc.sh 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/ 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/ 611 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/CGMap.sh 414047 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/Methanol.ref.gro 1080600000 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/Methanol.ref.trr 90048 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/cgMethanol.gro 1886 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/cgMethanol.mdp 734 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/cgMethanol.top 348784 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/cgMethanol.tpr 360600000 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/cgMethanol.trr 176124 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/mapMethanol.top 8973 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/mdout.mdp 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/start/ 611 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/start/CGMap.sh 90048 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/start/cgMethanol.gro 1886 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/start/cgMethanol.mdp 734 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/start/cgMethanol.top 176124 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/Methanol/start/mapMethanol.top 0 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/ 614 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/CGMap.sh 414116 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/MethanolSPH.ref.gro --------- ------- 5230406501 138 files ===================================================== Content of ZIP archive methanol-ref-02.zip ===================================================== Archive: methanol-ref-02.zip Length Date Time Name --------- ---------- ----- ---- 1080780000 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/MethanolSPH.ref.trr 90096 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/cgMethanolSPH.gro 1886 05-04-2012 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methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/shorter_trajs/cgMethanolSPH.gro 348952 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/shorter_trajs/cgMethanolSPH.tpr 360780000 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/shorter_trajs/cgMethanolSPH.trr 495 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/shorter_trajs/reduce_frame.sh 0 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/start/ 614 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/start/CGMap.sh 90096 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/start/cgMethanolSPH.gro 1886 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/start/cgMethanolSPH.mdp 1038 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/start/cgMethanolSPH.top 176212 05-04-2012 13:41 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH/start/mapMethanolSPH.top 0 05-04-2012 13:40 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methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH2/mdout.mdp 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH2/start/ 615 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH2/start/CGMap.sh 90097 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH2/start/cgMethanolSPH2.gro 1886 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH2/start/cgMethanolSPH2.mdp 1038 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH2/start/cgMethanolSPH2.top 176212 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/MethanolSPH2/start/mapMethanolSPH2.top 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/orientation/ 8700 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/orientation/Orientation-MethanolSPH.agr 8698 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/orientation/Orientation-MethanolSPH2.agr 122 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/orientation/log.txt 1340 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/orientation/orientation.SPH.dat 1340 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/orientation/orientation.SPH2.dat 436 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/orientation/run.sh 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/ 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/ 9473 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/Disp-rdf.o1006228 95488 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/Methanol.bond.dist.xvg 4970 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/Methanol.bond.log 3541 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/Methanol.bond.xvg 325 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/bond-dist.sh 955 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/calc_rdf.sh 165 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/clean.sh 10143 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/index.ndx 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/index_files/ 30437 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/index_files/cgMethanol.1000-3500.ndx 30437 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/index_files/cgMethanol.1000-6000.ndx 30437 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/index_files/cgMethanol.3500-6000.ndx 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/log_files/ 6246 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGC-CGC.DispCorrect.1000-3500.log 6346 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGC-CGC.DispCorrect.1000-6000.log 6343 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGC-CGC.DispCorrect.3500-6000.log 6258 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGC-CGO.DispCorrect.1000-3500.log 6353 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGC-CGO.DispCorrect.1000-6000.log 6323 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGC-CGO.DispCorrect.3500-6000.log 6266 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGO-CGO.DispCorrect.1000-3500.log 6331 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGO-CGO.DispCorrect.1000-6000.log 6331 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGO-CGO.DispCorrect.3500-6000.log 221 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/qsub.sh 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/rdf_files/ 11736 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGC-CGC.DispCorrect.1000-3500.xvg 11713 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGC-CGC.DispCorrect.1000-6000.xvg 11711 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGC-CGC.DispCorrect.3500-6000.xvg 11734 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGC-CGO.DispCorrect.1000-3500.xvg 11721 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGC-CGO.DispCorrect.1000-6000.xvg 11706 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGC-CGO.DispCorrect.3500-6000.xvg 11697 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGO-CGO.DispCorrect.1000-3500.xvg 11705 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGO-CGO.DispCorrect.1000-6000.xvg 11720 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGO-CGO.DispCorrect.3500-6000.xvg 89087 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/rdf_files/rdfs-time-compare.agr 196 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/Methanol/run_calc.sh 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/ 9819 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/Disp-rdf.o1006231 95535 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/MethanolSPH.bond.dist.xvg 5091 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/MethanolSPH.bond.log 3787 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/MethanolSPH.bond.xvg 328 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/bond-dist.sh 1366 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/calc_rdf.sh 165 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/clean.sh 20307 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/index.ndx 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/index_files/ 30456 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/index_files/cgMethanolSPH.1000-3500.ndx 30456 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/index_files/cgMethanolSPH.1000-6000.ndx 30456 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/index_files/cgMethanolSPH.3500-6000.ndx 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/ 6316 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGC-CGC.DispCorrect.1000-3500.log 6406 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGC-CGC.DispCorrect.1000-6000.log 6408 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGC-CGC.DispCorrect.3500-6000.log 6330 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGC-CGO.DispCorrect.1000-3500.log 6437 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGC-CGO.DispCorrect.1000-6000.log 6418 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGC-CGO.DispCorrect.3500-6000.log 6335 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGO-CGO.DispCorrect.1000-3500.log 6396 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGO-CGO.DispCorrect.1000-6000.log 6414 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGO-CGO.DispCorrect.3500-6000.log 6358 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.SPH-CGC.DispCorrect.1000-3500.log 6425 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.SPH-CGC.DispCorrect.1000-6000.log 6407 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.SPH-CGC.DispCorrect.3500-6000.log 6345 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.SPH-CGO.DispCorrect.1000-3500.log 6444 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.SPH-CGO.DispCorrect.1000-6000.log 6441 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.SPH-CGO.DispCorrect.3500-6000.log 221 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/qsub.sh 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/ 14416 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/Compare-RDF-SPH-CGM-2Site-MethanolSHP.agr 11724 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGC-CGC.DispCorrect.1000-3500.xvg 11745 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGC-CGC.DispCorrect.1000-6000.xvg 11732 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGC-CGC.DispCorrect.3500-6000.xvg 11714 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGC-CGO.DispCorrect.1000-3500.xvg 11729 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGC-CGO.DispCorrect.1000-6000.xvg 11727 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGC-CGO.DispCorrect.3500-6000.xvg 11742 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGO-CGO.DispCorrect.1000-3500.xvg 11717 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGO-CGO.DispCorrect.1000-6000.xvg 11716 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGO-CGO.DispCorrect.3500-6000.xvg 5036 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.SPH-CGC.DispCorrect.1000-3500.xvg 5037 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.SPH-CGC.DispCorrect.1000-6000.xvg 5044 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.SPH-CGC.DispCorrect.3500-6000.xvg 5049 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.SPH-CGO.DispCorrect.1000-3500.xvg 5044 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.SPH-CGO.DispCorrect.1000-6000.xvg 5044 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.SPH-CGO.DispCorrect.3500-6000.xvg 125897 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/rdf_files/rdf_time_test.agr 199 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH/run_calc.sh 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH2/ 9781 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH2/Disp-rdf.o1006232 95536 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH2/MethanolSPH2.bond.dist.xvg 5095 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH2/MethanolSPH2.bond.log 3485 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH2/MethanolSPH2.bond.xvg 329 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH2/bond-dist.sh 1366 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH2/calc_rdf.sh 165 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH2/clean.sh 20307 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH2/index.ndx 0 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH2/index_files/ 30456 05-04-2012 13:40 methanol-ref/AA-mapping/1.0-6.0ns/2-site/rdfs/MethanolSPH2/index_files/cgMethanolSPH2.1000-3500.ndx 30456 05-04-2012 13:40 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methanol-ref/AA-mapping/6.0-11.0ns/1-site/Methanol/cgMethanol.gro 1886 05-04-2012 13:44 methanol-ref/AA-mapping/6.0-11.0ns/1-site/Methanol/cgMethanol.mdp 498 05-04-2012 13:45 methanol-ref/AA-mapping/6.0-11.0ns/1-site/Methanol/cgMethanol.top 200740 05-04-2012 13:44 methanol-ref/AA-mapping/6.0-11.0ns/1-site/Methanol/cgMethanol.tpr 180636120 05-04-2012 13:44 methanol-ref/AA-mapping/6.0-11.0ns/1-site/Methanol/cgMethanol.trr 113124 05-04-2012 13:45 methanol-ref/AA-mapping/6.0-11.0ns/1-site/Methanol/mapMethanol.top 8973 05-04-2012 13:44 methanol-ref/AA-mapping/6.0-11.0ns/1-site/Methanol/mdout.mdp 0 05-04-2012 13:46 methanol-ref/AA-mapping/6.0-11.0ns/1-site/MethanolSPH/ 623 05-04-2012 13:46 methanol-ref/AA-mapping/6.0-11.0ns/1-site/MethanolSPH/CGMap.sh 414116 05-04-2012 13:45 methanol-ref/AA-mapping/6.0-11.0ns/1-site/MethanolSPH/MethanolSPH.ref.gro --------- ------- 4727626526 203 files ===================================================== Content of ZIP archive methanol-ref-03.zip 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methanol-ref/AA-mapping/combined_10ns/2-site/MethanolSPH/smaller-trajs/cgMethanolSPH.10000.trr --------- ------- 5235897400 152 files ===================================================== Content of ZIP archive methanol-ref-05.zip ===================================================== Archive: methanol-ref-05.zip Length Date Time Name --------- ---------- ----- ---- 180462156 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/MethanolSPH/smaller-trajs/cgMethanolSPH.2500.trr 360852156 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/MethanolSPH/smaller-trajs/cgMethanolSPH.5000.trr 90096 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/MethanolSPH/smaller-trajs/cgMethanolSPH.gro 348952 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/MethanolSPH/smaller-trajs/cgMethanolSPH.tpr 1023 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/MethanolSPH/smaller-trajs/reduce_frames.sh 0 05-04-2012 13:42 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methanol-ref/AA-mapping/combined_10ns/2-site/bonds/Methanol/Methanol.bond.xvg 325 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/Methanol/bond-dist.sh 20288 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/Methanol/index.ndx 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH/ 189543 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH/MethanolSPH.bond.dist.xvg 5524 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH/MethanolSPH.bond.log 3799 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH/MethanolSPH.bond.xvg 328 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH/bond-dist.sh 20307 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH/index.ndx 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH2/ 189564 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH2/MethanolSPH2.bond.dist.xvg 5465 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH2/MethanolSPH2.bond.log 3752 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH2/MethanolSPH2.bond.xvg 329 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH2/bond-dist.sh 20307 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/bonds/MethanolSPH2/index.ndx 0 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/ 0 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/ 0 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/angle_O.AA.0.0-0.2.dat 494990 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/angle_O.AA.0.2-0.4.dat 1718491 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/angle_O.AA.0.4-0.6.dat 3337010 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/angle_O.AA.0.6-0.8.dat 5508003 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/angle_O.AA.0.8-1.0.dat 8308934 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/angle_O.AA.1.0-1.2.dat 11497148 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/angle_O.AA.1.2-1.4.dat 15414507 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/angle_O.AA.1.4-1.6.dat 19672361 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/angle_O.AA.1.6-1.8.dat 24494921 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/angle_O.AA.1.8-2.0.dat 28 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/clean.sh 307 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/do_calc.sh 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/log.AA.0.0-0.2.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/log.AA.0.2-0.4.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/log.AA.0.4-0.6.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/log.AA.0.6-0.8.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/log.AA.0.8-1.0.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/log.AA.1.0-1.2.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/log.AA.1.2-1.4.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/log.AA.1.4-1.6.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/log.AA.1.6-1.8.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/log.AA.1.8-2.0.txt 638 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/orient.AA.0.0-0.2.dat 825 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/orient.AA.0.2-0.4.dat 838 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/orient.AA.0.4-0.6.dat 838 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/orient.AA.0.6-0.8.dat 863 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/orient.AA.0.8-1.0.dat 863 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/orient.AA.1.0-1.2.dat 863 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/orient.AA.1.2-1.4.dat 863 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/orient.AA.1.4-1.6.dat 863 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/orient.AA.1.6-1.8.dat 863 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/orient.AA.1.8-2.0.dat 8729 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGC.AA.0.0-0.2.dat 8760 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGC.AA.0.2-0.4.dat 8792 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGC.AA.0.4-0.6.dat 8799 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGC.AA.0.6-0.8.dat 8811 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGC.AA.0.8-1.0.dat 8813 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGC.AA.1.0-1.2.dat 8813 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGC.AA.1.2-1.4.dat 8813 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGC.AA.1.4-1.6.dat 8813 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGC.AA.1.6-1.8.dat 8813 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGC.AA.1.8-2.0.dat 8729 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGO.AA.0.0-0.2.dat 8797 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGO.AA.0.2-0.4.dat 8858 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGO.AA.0.4-0.6.dat 8871 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGO.AA.0.6-0.8.dat 8881 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGO.AA.0.8-1.0.dat 8902 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGO.AA.1.0-1.2.dat 8910 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGO.AA.1.2-1.4.dat 8915 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGO.AA.1.4-1.6.dat 8919 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGO.AA.1.6-1.8.dat 8922 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/rdf-SPH-CGO.AA.1.8-2.0.dat 748 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH.4.30.2010/run.sh 0 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/ 493850 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/angle_O.AA.0.3-0.4.dat 826496 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/angle_O.AA.0.4-0.5.dat 891995 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/angle_O.AA.0.5-0.6.dat 1288575 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/angle_O.AA.0.6-0.7.dat 2048435 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/angle_O.AA.0.7-0.8.dat 2545190 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/angle_O.AA.0.8-0.9.dat 2962813 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/angle_O.AA.0.9-1.0.dat 3727174 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/angle_O.AA.1.0-1.1.dat 4581760 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/angle_O.AA.1.1-1.2.dat 271 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/do_calc.sh 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/log.AA.0.3-0.4.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/log.AA.0.4-0.5.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/log.AA.0.5-0.6.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/log.AA.0.6-0.7.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/log.AA.0.7-0.8.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/log.AA.0.8-0.9.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/log.AA.0.9-1.0.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/log.AA.1.0-1.1.txt 138 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/log.AA.1.1-1.2.txt 825 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/orient.AA.0.3-0.4.dat 838 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/orient.AA.0.4-0.5.dat 838 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/orient.AA.0.5-0.6.dat 838 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/orient.AA.0.6-0.7.dat 838 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/orient.AA.0.7-0.8.dat 838 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/orient.AA.0.8-0.9.dat 838 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/orient.AA.0.9-1.0.dat 838 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/orient.AA.1.0-1.1.dat 844 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/orient.AA.1.1-1.2.dat 8759 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGC.AA.0.3-0.4.dat 8761 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGC.AA.0.4-0.5.dat 8762 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGC.AA.0.5-0.6.dat 8762 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGC.AA.0.6-0.7.dat 8769 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGC.AA.0.7-0.8.dat 8771 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGC.AA.0.8-0.9.dat 8772 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGC.AA.0.9-1.0.dat 8772 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGC.AA.1.0-1.1.dat 8773 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGC.AA.1.1-1.2.dat 8797 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGO.AA.0.3-0.4.dat 8823 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGO.AA.0.4-0.5.dat 8836 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGO.AA.0.5-0.6.dat 8841 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGO.AA.0.6-0.7.dat 8843 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGO.AA.0.7-0.8.dat 8846 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGO.AA.0.8-0.9.dat 8847 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGO.AA.0.9-1.0.dat 8848 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGO.AA.1.0-1.1.dat 8849 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/rdf-SPH-CGO.AA.1.1-1.2.dat 748 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/run.sh 14659137 05-04-2012 13:42 methanol-ref/AA-mapping/combined_10ns/2-site/orientation/MethanolSPH/trial1.agr 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/ 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/ 3159 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/Disp-rdf.o1015320 955 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/calc_rdf.sh 165 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/clean.sh 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/index_files/ 30437 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/index_files/cgMethanol.0-500000.ndx 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/log_files/ 6609 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGC-CGC.DispCorrect.0-500000.log 6601 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGC-CGO.DispCorrect.0-500000.log 6595 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/log_files/rdf.mapped.CGO-CGO.DispCorrect.0-500000.log 221 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/qsub.sh 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/rdf_files/ 11701 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGC-CGC.DispCorrect.0-500000.xvg 11710 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGC-CGO.DispCorrect.0-500000.xvg 11703 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/rdf_files/rdf.mapped.CGO-CGO.DispCorrect.0-500000.xvg 98 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/Methanol/run_calc.sh 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/ 3264 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/Disp-rdf.o1015321 1366 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/calc_rdf.sh 165 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/clean.sh 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/index_files/ 30456 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/index_files/cgMethanolSPH.0-5000000.ndx 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/log_files/ 6702 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGC-CGC.DispCorrect.0-5000000.log 6689 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGC-CGO.DispCorrect.0-5000000.log 6673 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.CGO-CGO.DispCorrect.0-5000000.log 6673 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.SPH-CGC.DispCorrect.0-5000000.log 6679 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/log_files/rdf.mapped.SPH-CGO.DispCorrect.0-5000000.log 221 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/qsub.sh 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/rdf_files/ 11730 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGC-CGC.DispCorrect.0-5000000.xvg 11734 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGC-CGO.DispCorrect.0-5000000.xvg 11719 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.CGO-CGO.DispCorrect.0-5000000.xvg 5033 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.SPH-CGC.DispCorrect.0-5000000.xvg 5044 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/rdf_files/rdf.mapped.SPH-CGO.DispCorrect.0-5000000.xvg 103 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH/run_calc.sh 0 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH2/ 3271 05-04-2012 13:43 methanol-ref/AA-mapping/combined_10ns/2-site/rdfs/MethanolSPH2/Disp-rdf.o1015325 1366 05-04-2012 13:43 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ZIP archive methanol-ref-06.zip ===================================================== Archive: methanol-ref-06.zip Length Date Time Name --------- ---------- ----- ---- 1080816120 05-04-2012 13:57 methanol-ref/AA-sims/TVN-DispCorrect/5.0ns_2/Methanol/Methanol.ref.trr 576 05-04-2012 13:57 methanol-ref/AA-sims/TVN-DispCorrect/5.0ns_2/Methanol/reduce_frames.sh 0 05-04-2012 13:58 methanol-ref/AA-sims/TVN-DispCorrect/5.0ns_2/MethanolSPH/ 414116 05-04-2012 13:58 methanol-ref/AA-sims/TVN-DispCorrect/5.0ns_2/MethanolSPH/MethanolSPH.ref.gro 26860 05-04-2012 13:58 methanol-ref/AA-sims/TVN-DispCorrect/5.0ns_2/MethanolSPH/MethanolSPH.ref.log 1080996156 05-04-2012 13:58 methanol-ref/AA-sims/TVN-DispCorrect/5.0ns_2/MethanolSPH/MethanolSPH.ref.trr 583 05-04-2012 13:58 methanol-ref/AA-sims/TVN-DispCorrect/5.0ns_2/MethanolSPH/reduce_frames.sh 0 05-04-2012 13:56 methanol-ref/AA-sims/TVN-DispCorrect/5.0ns_2/MethanolSPH2/ 414116 05-04-2012 13:56 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methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/mdrun3.log 1394 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/methanol_oplsaa.itp 221 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/qsub.sh 1553 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/run_gmx.sh 0 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/start/ 414041 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/start/Methanol.ref.gro 2218 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/start/Methanol.ref.mdp 103 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/start/Methanol.ref.top 1394 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/start/methanol_oplsaa.itp 221 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/start/qsub.sh 1553 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/start/run_gmx.sh 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/start/table.xvg 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/start/tablep.xvg 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/table.xvg 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/Methanol/tablep.xvg 0 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/ 103 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/MethanolSPH.o996414 6537812 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/MethanolSPH.ref.edr 414147 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/MethanolSPH.ref.gro 2521 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/MethanolSPH.ref.mdp 135 05-04-2012 13:53 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methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/start/qsub.sh 1556 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/start/run_gmx.sh 309 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/start/sphere.itp 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/start/table.xvg 589558 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/start/table_SPH_opls_154.xvg 589404 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/start/table_SPH_opls_156.xvg 589644 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/start/table_SPH_opls_157.xvg 60885 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/start/table_index.ndx 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/start/tablep.xvg 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/ener_min/MethanolSPH/table.xvg 589558 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methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/Methanol/tablep.xvg 0 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/ 192 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/MethanolSPH.o996579 9603844 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/MethanolSPH.ref.edr 414116 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/MethanolSPH.ref.gro 2518 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/MethanolSPH.ref.mdp 135 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/MethanolSPH.ref.top 1243948 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/MethanolSPH.ref.tpr --------- ------- 4622611133 169 files ===================================================== Content of ZIP archive methanol-ref-07.zip ===================================================== Archive: methanol-ref-07.zip Length Date Time Name --------- ---------- ----- ---- 1297152156 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/MethanolSPH.ref.trr 414116 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/confout.gro 1486 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/energy.log 1209160 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/energy.xvg 5561 05-04-2012 13:52 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/grompp.log 9075 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/mdout-MethanolSPH.ref.mdp 6748 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/mdrun.log 3263994 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/mdrun0.log 10110 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/mdrun1.log 10110 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/prod-raw/MethanolSPH/mdrun2.log 10110 05-04-2012 13:53 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methanol-ref/AA-sims/TVN-DispCorrect/prod2-raw/MethanolSPH2/start/methanol_oplsaa.itp 225 05-04-2012 13:54 methanol-ref/AA-sims/TVN-DispCorrect/prod2-raw/MethanolSPH2/start/qsub.sh 1557 05-04-2012 13:54 methanol-ref/AA-sims/TVN-DispCorrect/prod2-raw/MethanolSPH2/start/run_gmx.sh 309 05-04-2012 13:54 methanol-ref/AA-sims/TVN-DispCorrect/prod2-raw/MethanolSPH2/start/sphere.itp 600098 05-04-2012 13:54 methanol-ref/AA-sims/TVN-DispCorrect/prod2-raw/MethanolSPH2/start/table.xvg 590164 05-04-2012 13:54 methanol-ref/AA-sims/TVN-DispCorrect/prod2-raw/MethanolSPH2/start/table_SPH_opls_154.xvg 589946 05-04-2012 13:54 methanol-ref/AA-sims/TVN-DispCorrect/prod2-raw/MethanolSPH2/start/table_SPH_opls_156.xvg 590286 05-04-2012 13:54 methanol-ref/AA-sims/TVN-DispCorrect/prod2-raw/MethanolSPH2/start/table_SPH_opls_157.xvg 60885 05-04-2012 13:54 methanol-ref/AA-sims/TVN-DispCorrect/prod2-raw/MethanolSPH2/start/table_index.ndx 600098 05-04-2012 13:54 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methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/#mdrun0.log.1# 10092 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/#mdrun1.log.1# 10095 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/#mdrun2.log.1# 10093 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/#mdrun3.log.1# 105 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/MethanolSPH.o996567 108 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/MethanolSPH.o996574 99844 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/MethanolSPH.ref.edr 414116 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/MethanolSPH.ref.gro 2510 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/MethanolSPH.ref.mdp 135 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/MethanolSPH.ref.top 1243948 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/MethanolSPH.ref.tpr 13185516 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/MethanolSPH.ref.trr 414116 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/confout.gro 12994 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/energy.xvg 5715 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/grompp.log 9067 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/mdout-MethanolSPH.ref.mdp 6844 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/mdrun.log 49672 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/mdrun0.log 10095 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/mdrun1.log 10094 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/mdrun2.log 10095 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/mdrun3.log 1394 05-04-2012 13:53 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309 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/start/sphere.itp 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/start/table.xvg 589558 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/start/table_SPH_opls_154.xvg 589404 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/start/table_SPH_opls_156.xvg 589644 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/start/table_SPH_opls_157.xvg 60885 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/start/table_index.ndx 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/start/tablep.xvg 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/table.xvg 589558 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/table_SPH_opls_154.xvg 589404 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/table_SPH_opls_156.xvg 589644 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/table_SPH_opls_157.xvg 60885 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/table_index.ndx 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH/tablep.xvg 0 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/ 99844 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/#MethanolSPH2.ref.edr.1# 1243948 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/#MethanolSPH2.ref.tpr.1# 13185516 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/#MethanolSPH2.ref.trr.1# 9068 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/#mdout-MethanolSPH2.ref.mdp.1# 49669 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/#mdrun0.log.1# 10094 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/#mdrun1.log.1# 10095 05-04-2012 13:53 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methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/confout.gro 5876 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/grompp.log 9068 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/mdout-MethanolSPH2.ref.mdp 6865 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/mdrun.log 49675 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/mdrun0.log 10094 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/mdrun1.log 10094 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/mdrun2.log 10094 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/mdrun3.log 1394 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/methanol_oplsaa.itp 225 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/qsub.sh 1557 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/run_gmx.sh 309 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/sphere.itp 0 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/ 270092 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/MethanolSPH2.ref.gro 2518 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/MethanolSPH2.ref.mdp 135 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/MethanolSPH2.ref.top 1394 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/methanol_oplsaa.itp 225 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/qsub.sh 1557 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/run_gmx.sh 309 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/sphere.itp 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/table.xvg 590164 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/table_SPH_opls_154.xvg 589946 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/table_SPH_opls_156.xvg 590286 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/table_SPH_opls_157.xvg 60885 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/table_index.ndx 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/start/tablep.xvg 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/table.xvg 590164 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/table_SPH_opls_154.xvg 589946 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/table_SPH_opls_156.xvg 590286 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/table_SPH_opls_157.xvg 60885 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/table_index.ndx 600098 05-04-2012 13:53 methanol-ref/AA-sims/TVN-DispCorrect/test/MethanolSPH2/tablep.xvg 0 05-04-2012 14:00 methanol-ref/CG-sims/ 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/ 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/ 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/ 45704 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/MethanolSPH.prod.log 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/analysis/ 528 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/analysis/calc_rdf.sh 69114 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/analysis/cgMethanolSPH.gro 10172 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/analysis/cgMethanolSPH.ndx 200944 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/analysis/cgMethanolSPH.tpr 361560000 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/analysis/cgMethanolSPH.trr 6262 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/analysis/rdf.cg-sim.CGM-CGM.log 11599 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/analysis/rdf.cg-sim.CGM-CGM.xvg 6292 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/analysis/rdf.cg-sim.SPH-CGM.log 4919 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/analysis/rdf.cg-sim.SPH-CGM.xvg 192 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/cg-1site.o1019260 6865220 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/cgMethanolSPH.edr 69114 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/cgMethanolSPH.gro 2146 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/cgMethanolSPH.mdp 776 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/cgMethanolSPH.top 200944 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/cgMethanolSPH.tpr 397752156 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/cgMethanolSPH.trr 69114 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/confout.gro 1133700 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/energy.xvg 5093 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/grompp.log 9011 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/mdout-cgMethanolSPH.mdp 6017 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/mdrun.log 3631621 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/mdrun0.log 8973 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/mdrun1.log 8971 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/mdrun2.log 8973 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/mdrun3.log 8973 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/mdrun4.log 8973 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/mdrun5.log 8973 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/mdrun6.log 8971 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/mdrun7.log 221 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/qsub.sh 347 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/reduce_frames.sh 1554 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/run_gmx.sh 146580 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/table.xvg 146089 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/table_CGM_CGM.xvg 145838 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/prod/table_CGM_SPH.xvg 15247 05-04-2012 13:59 methanol-ref/CG-sims/using-forces/1-site/prod/table_index.ndx 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/ 103 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/MethanolSPH.o1019258 625220 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/cgMethanolSPH.edr 69114 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/cgMethanolSPH.gro 2133 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/cgMethanolSPH.mdp 776 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/cgMethanolSPH.top 200944 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/cgMethanolSPH.tpr 36192156 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/cgMethanolSPH.trr 69114 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/confout.gro 5029 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/grompp.log 8999 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/mdout-cgMethanolSPH.mdp 5714 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/mdrun.log 341039 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/mdrun0.log 8964 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/mdrun1.log 8966 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/mdrun2.log 8966 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/mdrun3.log 224 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/qsub.sh 1554 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/run_gmx.sh 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/start/ 69114 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/start/cgMethanolSPH.gro 2132 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/start/cgMethanolSPH.mdp 776 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/start/cgMethanolSPH.top 316 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/start/gmx3_s.sh 146580 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/start/table.xvg 146089 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/start/table_CGM_CGM.xvg 145838 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/start/table_CGM_SPH.xvg 15247 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/start/table_index.ndx 146580 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/table.xvg 146089 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/table_CGM_CGM.xvg 145838 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/table_CGM_SPH.xvg 15247 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/table_index.ndx 4881268 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/1-site/short-test/traj.xtc 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/ 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/original/ 8430 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/original/CGC-CGC-f.ref.dat 8400 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/original/CGC-CGO-f.ref.dat 8400 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/original/CGO-CGO-f.ref.dat 2201 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/original/SPH-CGC-NB_PairInter-f-total.forces.dat 2201 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/original/SPH-CGO-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/ 192 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/MethanolSPH.o1019245 45697 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/MethanolSPH.prod.log 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/ 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/bonds/ 191516 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/bonds/MethanolSPH.bond.dist.xvg 5353 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/bonds/MethanolSPH.bond.log 3666 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/bonds/MethanolSPH.bond.xvg 312 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/bonds/bond-dist.sh 20307 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/bonds/index.ndx 998 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/calc_rdf.sh 138114 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/cgMethanolSPH.gro 30456 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/cgMethanolSPH.ndx 349012 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/cgMethanolSPH.tpr 721560000 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/cgMethanolSPH.trr 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/orientation/ 1340 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/orientation/cg-sim.MethanolSPH.orientation.dat 109 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/orientation/log.txt 243 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/orientation/run.sh 6476 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/rdf.cg-sim.CGC-CGC.log 11602 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/rdf.cg-sim.CGC-CGC.xvg 6503 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/rdf.cg-sim.CGC-CGO.log 11622 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/rdf.cg-sim.CGC-CGO.xvg 6490 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/rdf.cg-sim.CGO-CGO.log 11624 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/rdf.cg-sim.CGO-CGO.xvg 6490 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/rdf.cg-sim.SPH-CGC.log 4935 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/rdf.cg-sim.SPH-CGC.xvg 6485 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/rdf.cg-sim.SPH-CGO.log 4910 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/analysis/rdf.cg-sim.SPH-CGO.xvg 8097460 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/cgMethanolSPH.edr 138114 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/cgMethanolSPH.gro 2177 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/cgMethanolSPH.mdp 1044 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/cgMethanolSPH.top 349012 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/cgMethanolSPH.tpr 793788156 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/cgMethanolSPH.trr 138114 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/confout.gro 1327117 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/energy.xvg 5118 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/grompp.log 9039 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/mdout-cgMethanolSPH.mdp 6133 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/mdrun.log 3962850 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/mdrun0.log 9552 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/mdrun1.log 9552 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/mdrun2.log 9552 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/mdrun3.log 9552 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/mdrun4.log 9552 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/mdrun5.log 9552 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/mdrun6.log 9552 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/mdrun7.log 224 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/qsub.sh 347 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/reduce_frames.sh 1554 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/run_gmx.sh 146580 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/table.xvg 145919 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/table_CGC_CGC.xvg 146580 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/table_CGC_CGO.xvg 145961 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/table_CGC_SPH.xvg 145914 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/table_CGO_CGO.xvg 146187 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/table_CGO_SPH.xvg 20314 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/prod/table_index.ndx 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/ 203 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/do_table.sh 20910 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/f-CGC_CGC.dat 20910 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/f-CGC_CGO.dat 20760 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/f-CGC_SPH.dat 20880 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/f-CGO_CGO.dat 20760 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/f-CGO_SPH.dat 20910 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/p-CGC_CGC.dat 20910 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/p-CGC_CGO.dat 20760 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/p-CGC_SPH.dat 20880 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/p-CGO_CGO.dat 20760 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/p-CGO_SPH.dat 279 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/run.sh 11495 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/smooth-f.CGC-CGC.dat 11765 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/smooth-f.CGC-CGO.dat 9108 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/smooth-f.CGC-SPH.dat 11506 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/smooth-f.CGO-CGO.dat 9474 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/smooth-f.CGO-SPH.dat 145919 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/table_CGC_CGC.xvg 146580 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/table_CGC_CGO.xvg 145961 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/table_CGC_SPH.xvg 145914 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/table_CGO_CGO.xvg 146187 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/tables/table_CGO_SPH.xvg 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/ 104 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/MethanolSPH.o1019242 737460 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/cgMethanolSPH.edr 138114 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/cgMethanolSPH.gro 2161 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/cgMethanolSPH.mdp 1044 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/cgMethanolSPH.top 349012 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/cgMethanolSPH.tpr 72228156 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/cgMethanolSPH.trr 138114 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/confout.gro 5044 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/grompp.log 9027 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/mdout-cgMethanolSPH.mdp 5830 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/mdrun.log 372257 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/mdrun0.log 9544 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/mdrun1.log 9543 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/mdrun2.log 9544 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/mdrun3.log 223 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/qsub.sh 1554 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/run_gmx.sh 0 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/ 138114 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/cgMethanolSPH.gro 2160 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/cgMethanolSPH.mdp 1044 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/cgMethanolSPH.top 316 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/gmx3_s.sh 146580 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/table.xvg 145919 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/table_CGC_CGC.xvg 146580 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/table_CGC_CGO.xvg 145961 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/table_CGC_SPH.xvg 145914 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/table_CGO_CGO.xvg 146187 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/table_CGO_SPH.xvg 20314 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/start/table_index.ndx 146580 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/table.xvg 145919 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/table_CGC_CGC.xvg 146580 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/table_CGC_CGO.xvg 145961 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/table_CGC_SPH.xvg 145914 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/table_CGO_CGO.xvg 146187 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/table_CGO_SPH.xvg 20314 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/table_index.ndx 8008068 05-04-2012 14:00 methanol-ref/CG-sims/using-forces/2-site/test-sim/traj.xtc 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/ 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/ 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/ 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/ 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/start-files/ 69114 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/start-files/cgMethanolSPH.gro 2146 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/start-files/cgMethanolSPH.mdp 776 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/start-files/cgMethanolSPH.top 221 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/start-files/qsub.sh 347 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/start-files/reduce_frames.sh 1554 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/start-files/run_gmx.sh 145599 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/start-files/table.xvg 146111 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/start-files/table_CGM_CGM.xvg 145721 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/start-files/table_CGM_SPH.xvg 15247 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/start-files/table_index.ndx 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/tables/ 9811 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/tables/CGM-CGM-f.ref.dat 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/tables/original-forces/ 9811 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/tables/original-forces/CGM-CGM-f.ref.dat 4371 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/tables/original-forces/SPH-CGM-NB_PairInter-f-total.struct.dat 296 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/tables/run.make_gmx4_table.sh 8769 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/tables/smooth-f.SPH-CGM.dat 146111 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/tables/table_CGM_CGM.xvg 145721 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH/tables/table_CGM_SPH.xvg 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/ 69114 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/cgMethanolSPH.gro 2132 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/cgMethanolSPH.mdp 776 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/cgMethanolSPH.top 33984 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/cgMethanolSPH.tpr 3651756 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/cgMethanolSPH.trr 69114 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/confout.gro 65256 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/ener.edr 316 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/gmx4_s.sh 48198 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/md.log 9891 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/mdout.mdp 221 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/qsub.sh 347 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/reduce_frames.sh 1554 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/run_gmx.sh 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/start-files/ 69114 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/start-files/cgMethanolSPH.gro 2146 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/start-files/cgMethanolSPH.mdp 776 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/start-files/cgMethanolSPH.top 221 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/start-files/qsub.sh 347 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/start-files/reduce_frames.sh 145599 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/start-files/table.xvg 146111 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/start-files/table_CGM_CGM.xvg 145889 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/start-files/table_CGM_SPH.xvg 10172 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/start-files/table_index.ndx 25192 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/state.cpt 145599 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/table.xvg 146111 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/table_CGM_CGM.xvg 145889 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/table_CGM_SPH.xvg 10172 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/table_index.ndx 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/tables/ 9811 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/tables/CGM-CGM-f.ref.dat 2790 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/tables/SPH-CGM-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/tables/original-forces/ 9811 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/tables/original-forces/CGM-CGM-f.ref.dat 4371 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/tables/original-forces/SPH-CGM-NB_PairInter-f-total.struct.dat 296 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/tables/run.make_gmx4_table.sh 8741 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/tables/smooth-f.SPH-CGM.dat 146111 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/tables/table_CGM_CGM.xvg 145889 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/1-site/MethanolSPH2/tables/table_CGM_SPH.xvg 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/ 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/ 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/ 138114 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/cgMethanolSPH.gro 2177 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/cgMethanolSPH.mdp 1044 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/cgMethanolSPH.top 224 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/qsub.sh 347 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/reduce_frames.sh 145599 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/table.xvg 145971 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/table_CGC_CGC.xvg 146614 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/table_CGC_CGO.xvg 146256 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/table_CGC_SPH.xvg 145820 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/table_CGO_CGO.xvg 145831 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/table_CGO_SPH.xvg 20314 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/start-files/table_index.ndx 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/ 10023 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/CGC-CGC-f.ref.dat 9931 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/CGC-CGO-f.ref.dat 9698 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/CGO-CGO-f.ref.dat 3131 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/SPH-CGC-NB_PairInter-f-total.struct.dat 3193 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/SPH-CGO-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/fit-expansion/ 8609 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/fit-expansion/fit.SPH-CGC.dat 7652 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/fit-expansion/fit.SPH-CGO.dat 1750 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/fit-expansion/old.SPH-CGC.dat 1744 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/fit-expansion/old.SPH-CGO.dat 291 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/fit-expansion/run.make_gmx4_table.sh 146193 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/fit-expansion/table_CGC_SPH.xvg 145678 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/fit-expansion/table_CGO_SPH.xvg 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/original-forces/ 10023 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/original-forces/CGC-CGC-f.ref.dat 9931 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/original-forces/CGC-CGO-f.ref.dat 9698 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/original-forces/CGO-CGO-f.ref.dat 4371 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/original-forces/SPH-CGC-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/original-forces/SPH-CGO-NB_PairInter-f-total.struct.dat 1216 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/original-forces/out.txt 1216 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/out.txt 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/potent-12-inv-fit/ 10940 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/potent-12-inv-fit/final.fit.SPH-CGC.dat 11049 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/potent-12-inv-fit/final.fit.SPH-CGO.dat 303 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/potent-12-inv-fit/run.make_gmx4_table.sh 145597 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/potent-12-inv-fit/table_CGC_SPH.xvg 145597 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/potent-12-inv-fit/table_CGO_SPH.xvg 625 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/run.make_gmx4_table.sh 8750 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/smooth-f.SPH-CGC.dat 8809 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/smooth-f.SPH-CGO.dat 145971 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/table_CGC_CGC.xvg 146614 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/table_CGC_CGO.xvg 146256 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/table_CGC_SPH.xvg 145820 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/table_CGO_CGO.xvg 145831 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/table_CGO_SPH.xvg 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/temp/ 16565 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/temp/f-CGC-SPH.dat 16528 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/temp/f-CGO-SPH.dat 301 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/temp/run.make_gmx4_table.sh 8750 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/temp/smooth-f.SPH-CGC.dat 8809 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/temp/smooth-f.SPH-CGO.dat 146256 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/temp/table_CGC_SPH.xvg 145831 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH/tables/temp/table_CGO_SPH.xvg 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/ 138114 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/cgMethanolSPH.gro 2163 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/cgMethanolSPH.mdp 1044 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/cgMethanolSPH.top 66136 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/cgMethanolSPH.tpr 7287756 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/cgMethanolSPH.trr 76696 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/ener.edr 316 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/gmx4_s.sh 52299 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/md.log 9919 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/mdout.mdp 224 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/qsub.sh 347 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/reduce_frames.sh 1554 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/run_gmx.sh 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/ 138114 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/cgMethanolSPH.gro 2177 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/cgMethanolSPH.mdp 1044 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/cgMethanolSPH.top 224 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/qsub.sh 347 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/reduce_frames.sh 145599 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/table.xvg 145971 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/table_CGC_CGC.xvg 146614 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/table_CGC_CGO.xvg 146327 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/table_CGC_SPH.xvg 145820 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/table_CGO_CGO.xvg 146204 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/table_CGO_SPH.xvg 20314 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/start_files/table_index.ndx 49304 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/state.cpt 145599 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/table.xvg 145971 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/table_CGC_CGC.xvg 146614 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/table_CGC_CGO.xvg 146327 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/table_CGC_SPH.xvg 145820 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/table_CGO_CGO.xvg 146204 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/table_CGO_SPH.xvg 20314 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/table_index.ndx 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/ 10023 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/CGC-CGC-f.ref.dat 9931 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/CGC-CGO-f.ref.dat 9698 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/CGO-CGO-f.ref.dat 2790 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/SPH-CGC-NB_PairInter-f-total.struct.dat 2821 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/SPH-CGO-NB_PairInter-f-total.struct.dat 316 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/gmx4_s.sh 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/original-forces/ 10023 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/original-forces/CGC-CGC-f.ref.dat 9931 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/original-forces/CGC-CGO-f.ref.dat 9698 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/original-forces/CGO-CGO-f.ref.dat 4371 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/original-forces/SPH-CGC-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/original-forces/SPH-CGO-NB_PairInter-f-total.struct.dat 1216 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/original-forces/out.txt 1216 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/out.txt 0 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/potent-12-inv-fit/ 10475 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/potent-12-inv-fit/final-fit.SPH-CGC.dat 10596 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/potent-12-inv-fit/final-fit.SPH-CGO.dat 303 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/potent-12-inv-fit/run.make_gmx4_table.sh 145597 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/potent-12-inv-fit/table_CGC_SPH.xvg 145597 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/potent-12-inv-fit/table_CGO_SPH.xvg 625 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/run.make_gmx4_table.sh 8929 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/smooth-f.SPH-CGC.dat 8843 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/smooth-f.SPH-CGO.dat 145599 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/table.xvg 145971 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/table_CGC_CGC.xvg 146614 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/table_CGC_CGO.xvg 146327 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/table_CGC_SPH.xvg 145820 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/table_CGO_CGO.xvg 146204 05-04-2012 14:00 methanol-ref/CG-sims/using-structures/preparing-files/2-site/MethanolSPH2/tables/table_CGO_SPH.xvg 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/ 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/ 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/ 6164 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/#mdrun.log.1# 200 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/1-MeSPH1.o1033868 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/analysis/ 35783 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/analysis/RDFs.MethanolSPH.1site.agr 528 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/analysis/calc_rdf.sh 69114 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/analysis/cgMethanolSPH.gro 10172 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/analysis/cgMethanolSPH.ndx 33988 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/analysis/cgMethanolSPH.tpr 361560000 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/analysis/cgMethanolSPH.trr 6120 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/analysis/rdf.cg-sim.CGM-CGM.log 11594 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/analysis/rdf.cg-sim.CGM-CGM.xvg 6120 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/analysis/rdf.cg-sim.SPH-CGM.log 4914 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/analysis/rdf.cg-sim.SPH-CGM.xvg 4632 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgMethanol.prod.log 7041256 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgMethanolSPH.edr 69114 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgMethanolSPH.gro 2146 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgMethanolSPH.mdp 45898 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgMethanolSPH.prod.log 776 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgMethanolSPH.top 33988 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgMethanolSPH.tpr 397752156 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgMethanolSPH.trr 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgff-figures/ 25227 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgff-figures/CGFF-Force-1Site-Methanol.agr 17097 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgff-figures/force.CGM-CGM.dat 16451 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgff-figures/force.SPH-CGM.dat 48049 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgff-figures/forces-1Site-MethanolSPH.agr 49139 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgff-figures/potential-1Site-MethanolSPH.agr 17879 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgff-figures/potential.CGM-CGM.dat 16765 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/cgff-figures/potential.SPH-CGM.dat 69114 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/confout.gro 4124 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/grompp.log 9918 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/mdout-cgMethanolSPH.mdp 4414543 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/mdrun.log 221 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/qsub.sh 478 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/reduce_frames.sh 1688 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/run_gmx.sh 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/start/ 69114 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/start/cgMethanolSPH.gro 2146 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/start/cgMethanolSPH.mdp 776 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/start/cgMethanolSPH.top 221 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/start/qsub.sh 347 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/start/reduce_frames.sh 1688 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/start/run_gmx.sh 145599 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/start/table.xvg 146111 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/start/table_CGM_CGM.xvg 145721 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/start/table_CGM_SPH.xvg 15247 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/start/table_index.ndx 25200 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/state.cpt 25200 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/state_prev.cpt 145599 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/table.xvg 146111 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/table_CGM_CGM.xvg 145721 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/table_CGM_SPH.xvg 15247 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH/table_index.ndx 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/ 6189 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/#mdrun.log.1# 192 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/1-MeSPH2.o1033873 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/analysis/ 35651 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/analysis/RDFs.MethanolSPH2.1site.agr 528 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/analysis/calc_rdf.sh 69114 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/analysis/cgMethanolSPH.gro 10172 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/analysis/cgMethanolSPH.ndx 33984 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/analysis/cgMethanolSPH.tpr 361560000 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/analysis/cgMethanolSPH.trr 6151 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/analysis/rdf.cg-sim.CGM-CGM.log 11612 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/analysis/rdf.cg-sim.CGM-CGM.xvg 6136 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/analysis/rdf.cg-sim.SPH-CGM.log 4920 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/analysis/rdf.cg-sim.SPH-CGM.xvg 7041256 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/cgMethanolSPH.edr 69114 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/cgMethanolSPH.gro 2146 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/cgMethanolSPH.mdp 45915 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/cgMethanolSPH.prod.log 776 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/cgMethanolSPH.top 33984 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/cgMethanolSPH.tpr 397752156 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/cgMethanolSPH.trr 4704 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/cgMethanolSPH2.prod.log 69114 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/confout.gro 4124 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/grompp.log 9917 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/mdout-cgMethanolSPH.mdp 4414541 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/mdrun.log 221 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/qsub.sh 478 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/reduce_frames.sh 1688 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/run_gmx.sh 0 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/start/ 69114 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/start/cgMethanolSPH.gro 2146 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/start/cgMethanolSPH.mdp 776 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/start/cgMethanolSPH.top 221 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/start/qsub.sh 347 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/start/reduce_frames.sh 1688 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/start/run_gmx.sh 145599 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/start/table.xvg 146111 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/start/table_CGM_CGM.xvg 145889 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/start/table_CGM_SPH.xvg 10172 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/start/table_index.ndx 25200 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/state.cpt 25200 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/state_prev.cpt 145599 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/table.xvg 146111 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/table_CGM_CGM.xvg 145889 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/table_CGM_SPH.xvg 10172 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/1-site/MethanolSPH2/table_index.ndx 0 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/ 0 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/ 6273 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/#mdrun.log.1# 194 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/2-MeSPH1.o1072010 0 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/ 1020 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.0.0-0.4.dat 1039 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.0.1-0.5.dat 1039 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.0.2-0.6.dat 1039 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.0.3-0.7.dat 1039 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.0.4-0.8.dat 1070 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.0.5-0.9.dat 1070 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.0.6-1.0.dat 1070 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.0.7-1.1.dat 1070 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.0.8-1.2.dat 1070 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.0.9-1.3.dat 1070 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.1.0-1.4.dat 1070 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.1.1-1.5.dat 1070 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.1.2-1.6.dat 1070 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.1.3-1.7.dat 1070 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.1.4-1.8.dat 1070 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.1.5-1.9.dat 1070 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/aaMethanolSPH.orientation.1.6-2.0.dat 138114 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/cgMethanolSPH.gro 58140 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/cgMethanolSPH.tpr 217188000 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/cgMethanolSPH.trr 30 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/clean.sh 394 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/do_calc.sh 41134 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/homodimer.orientation.agr 104 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/log.txt 0 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/rdfs/ 20314 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/rdfs/index.ndx 22610 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/rdfs/rdf-CGC-CGC.xvg 22620 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/rdfs/rdf-CGC-CGO.xvg 22620 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/rdfs/rdf-CGO-CGO.xvg 22598 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/rdfs/rdf-SPH-CGC.xvg 22605 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/rdfs/rdf-SPH-CGO.xvg 248 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/analysis/run.sh 2184 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/cgMethanolSPH.edr 138114 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/cgMethanolSPH.gro 2111 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/cgMethanolSPH.mdp 41970 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/cgMethanolSPH.prod.log 859 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH-dummy/cgMethanolSPH.top 58140 05-04-2012 14:03 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methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/angle_O.CG.0.2-0.4.dat 1735305 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/angle_O.CG.0.4-0.6.dat 3295727 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/angle_O.CG.0.6-0.8.dat 5573702 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/angle_O.CG.0.8-1.0.dat 8211122 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/angle_O.CG.1.0-1.2.dat 11520026 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/angle_O.CG.1.2-1.4.dat 15410120 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/angle_O.CG.1.4-1.6.dat 19665972 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/angle_O.CG.1.6-1.8.dat 24494087 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/angle_O.CG.1.8-2.0.dat 28 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/clean.sh 282 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/do_calc.sh 157 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/log.CG.0.0-0.2.txt 157 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/log.CG.0.2-0.4.txt 157 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/log.CG.0.4-0.6.txt 157 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/log.CG.0.6-0.8.txt 157 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/log.CG.0.8-1.0.txt 157 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/log.CG.1.0-1.2.txt 157 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/log.CG.1.2-1.4.txt 157 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/log.CG.1.4-1.6.txt 157 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/log.CG.1.6-1.8.txt 157 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/log.CG.1.8-2.0.txt 638 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/orient.CG.0.0-0.2.dat 823 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/orient.CG.0.2-0.4.dat 838 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/orient.CG.0.4-0.6.dat 838 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/orient.CG.0.6-0.8.dat 863 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/orient.CG.0.8-1.0.dat 863 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/orient.CG.1.0-1.2.dat 863 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/orient.CG.1.2-1.4.dat 863 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/orient.CG.1.4-1.6.dat 863 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/orient.CG.1.6-1.8.dat 863 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/orient.CG.1.8-2.0.dat 8729 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGC.CG.0.0-0.2.dat 8757 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGC.CG.0.2-0.4.dat 8792 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGC.CG.0.4-0.6.dat 8799 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGC.CG.0.6-0.8.dat 8811 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGC.CG.0.8-1.0.dat 8813 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGC.CG.1.0-1.2.dat 8813 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGC.CG.1.2-1.4.dat 8813 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGC.CG.1.4-1.6.dat 8813 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGC.CG.1.6-1.8.dat 8813 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGC.CG.1.8-2.0.dat 8729 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGO.CG.0.0-0.2.dat 8795 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGO.CG.0.2-0.4.dat 8856 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGO.CG.0.4-0.6.dat 8871 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGO.CG.0.6-0.8.dat 8882 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGO.CG.0.8-1.0.dat 8901 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGO.CG.1.0-1.2.dat 8910 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGO.CG.1.2-1.4.dat 8917 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGO.CG.1.4-1.6.dat 8919 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGO.CG.1.6-1.8.dat 8922 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/rdf-SPH-CGO.CG.1.8-2.0.dat 767 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/orientation/run.sh 6380 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/rdf.cg-sim.CGC-CGC.log 11618 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/rdf.cg-sim.CGC-CGC.xvg 6370 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/rdf.cg-sim.CGC-CGO.log 11619 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/rdf.cg-sim.CGC-CGO.xvg 6367 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/rdf.cg-sim.CGO-CGO.log 11638 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/rdf.cg-sim.CGO-CGO.xvg 6388 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/rdf.cg-sim.SPH-CGC.log 4924 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/rdf.cg-sim.SPH-CGC.xvg 6382 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/rdf.cg-sim.SPH-CGO.log 4941 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/rdf.cg-sim.SPH-CGO.xvg 218 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/analysis/run.sh 8273496 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/cgMethanolSPH.edr 138114 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/cgMethanolSPH.gro 2177 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/cgMethanolSPH.mdp 45938 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/cgMethanolSPH.prod.log 1044 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/cgMethanolSPH.top 66136 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/cgMethanolSPH.tpr 793788156 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/cgMethanolSPH.trr 138114 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/confout.gro 287857 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/energy.xvg 4118 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/grompp.log 9946 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/mdout-cgMethanolSPH.mdp 4748094 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/mdrun.log 317 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/pressure.log 221 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/qsub.sh 478 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/reduce_frames.sh 1688 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/run_gmx.sh 0 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/ 138114 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/cgMethanolSPH.gro 2177 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/cgMethanolSPH.mdp 1044 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/cgMethanolSPH.top 221 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/qsub.sh 347 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/reduce_frames.sh 1688 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/run_gmx.sh 145599 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/table.xvg 145971 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/table_CGC_CGC.xvg 146614 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/table_CGC_CGO.xvg 146256 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/table_CGC_SPH.xvg 145820 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/table_CGO_CGO.xvg 145831 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/table_CGO_SPH.xvg 20314 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/start/table_index.ndx 49312 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/state.cpt 49312 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/state_prev.cpt 145599 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/table.xvg 145971 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/table_CGC_CGC.xvg 146614 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/table_CGC_CGO.xvg 146256 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/table_CGC_SPH.xvg 145820 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/table_CGO_CGO.xvg 145831 05-04-2012 14:05 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/table_CGO_SPH.xvg 20314 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH/table_index.ndx 0 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/ 10698 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/#mdrun.log.1# 192 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/2-MeSPH2.o1033878 2396616 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/cgMethanolSPH.edr 138114 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/cgMethanolSPH.gro 2177 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/cgMethanolSPH.mdp 15859 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/cgMethanolSPH.prod.log 1044 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/cgMethanolSPH.top 66136 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/cgMethanolSPH.tpr 229889016 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/cgMethanolSPH.trr 435907 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/energy.xvg 4120 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/grompp.log 9945 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/mdout-cgMethanolSPH.mdp 1379491 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/mdrun.log 221 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/qsub.sh 478 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/reduce_frames.sh 1688 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/run_gmx.sh 0 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/ 138114 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/cgMethanolSPH.gro 2177 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/cgMethanolSPH.mdp 1044 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/cgMethanolSPH.top 221 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/qsub.sh 347 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/reduce_frames.sh 1688 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/run_gmx.sh 145599 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/table.xvg 145971 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/table_CGC_CGC.xvg 146614 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/table_CGC_CGO.xvg 146327 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/table_CGC_SPH.xvg 145820 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/table_CGO_CGO.xvg 146204 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/table_CGO_SPH.xvg 20314 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/start/table_index.ndx 49312 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/state.cpt 49312 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/state_prev.cpt 145599 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/table.xvg 145971 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/table_CGC_CGC.xvg 146614 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/table_CGC_CGO.xvg 146327 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/table_CGC_SPH.xvg 145820 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/table_CGO_CGO.xvg 146204 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/table_CGO_SPH.xvg 20314 05-04-2012 14:01 methanol-ref/CG-sims/using-structures/prod-sims/2-site/MethanolSPH2/table_index.ndx 14873 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/Orientation-MethanolSPH.agr 10757 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/Orientation-MethanolSPH2.agr 0 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/ 6174 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/#mdrun.log.1# 0 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/CGFF-figures/ 16825 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/CGFF-figures/force.SPH-CGC.dat 16160 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/CGFF-figures/force.SPH-CGO.dat 17335 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/CGFF-figures/potential.SPH-CGC.dat 16458 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/CGFF-figures/potential.SPH-CGO.dat 4597 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/MethanolSPH.prod.log 0 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/ 90902 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/RDFs-MethanolSPH-2-site-fit-expans.agr 0 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/bonds/ 14200 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/bonds/BondDist-2-site-MethanolSPH-fit-expans.agr 191508 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/bonds/MethanolSPH.bond.dist.xvg 5260 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/bonds/MethanolSPH.bond.log 3596 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/bonds/MethanolSPH.bond.xvg 312 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/bonds/bond-dist.sh 20307 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/bonds/index.ndx 998 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/calc_rdf.sh 138114 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/cgMethanolSPH.gro 30456 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/cgMethanolSPH.ndx 66136 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/cgMethanolSPH.tpr 721560000 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/cgMethanolSPH.trr 106 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/log.txt 1340 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/orientation.dat 6378 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/rdf.cg-sim.CGC-CGC.log 11634 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/rdf.cg-sim.CGC-CGC.xvg 6394 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/rdf.cg-sim.CGC-CGO.log 11631 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/rdf.cg-sim.CGC-CGO.xvg 6405 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/rdf.cg-sim.CGO-CGO.log 11631 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/rdf.cg-sim.CGO-CGO.xvg 6379 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/rdf.cg-sim.SPH-CGC.log 4949 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/rdf.cg-sim.SPH-CGC.xvg 6378 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/rdf.cg-sim.SPH-CGO.log 4924 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/rdf.cg-sim.SPH-CGO.xvg 218 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/analysis/run.sh 8273496 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/cgMethanolSPH.edr 138114 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/cgMethanolSPH.gro 2177 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/cgMethanolSPH.mdp 45909 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/cgMethanolSPH.prod.log 1044 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/cgMethanolSPH.top 66136 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/cgMethanolSPH.tpr 793788156 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/cgMethanolSPH.trr 138114 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/confout.gro 192 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/fit.o1033885 4117 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/grompp.log 9945 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/mdout-cgMethanolSPH.mdp 4748098 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/mdrun.log 216 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/qsub.sh 478 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/reduce_frames.sh 1688 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/run_gmx.sh 49312 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/state.cpt 49312 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/state_prev.cpt 145599 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/table.xvg 145971 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/table_CGC_CGC.xvg 146614 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/table_CGC_CGO.xvg 146193 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/table_CGC_SPH.xvg 145820 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/table_CGO_CGO.xvg 145678 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/table_CGO_SPH.xvg 20314 05-04-2012 14:04 methanol-ref/CG-sims/using-structures/prod-sims/2-site/fit-MethanolSPH/table_index.ndx 0 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive1/ 6156 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive1/#mdrun.log.1# 4544 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive1/MethanolSPH.prod.log 0 05-04-2012 14:03 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methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive1/analysis/bonds/index.ndx 998 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive1/analysis/calc_rdf.sh 138114 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive1/analysis/cgMethanolSPH.gro 30456 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive1/analysis/cgMethanolSPH.ndx 66136 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive1/analysis/cgMethanolSPH.tpr 721560000 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive1/analysis/cgMethanolSPH.trr 106 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive1/analysis/log.txt 1340 05-04-2012 14:03 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive1/analysis/orientation.dat 6423 05-04-2012 14:03 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methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive2/table_CGC_CGO.xvg 145597 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive2/table_CGC_SPH.xvg 145820 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive2/table_CGO_CGO.xvg 145597 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive2/table_CGO_SPH.xvg 20314 05-04-2012 14:02 methanol-ref/CG-sims/using-structures/prod-sims/2-site/repulsive2/table_index.ndx 0 05-04-2012 14:07 methanol-ref/CGFF/ 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/ 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/ 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/ 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/ 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/ 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-L-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-L-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-b-cgMethanol.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-b-cgMethanol.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-b-cgMethanol.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-b-cgMethanol.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-f-cgMethanol.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-f-cgMethanol.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-f-cgMethanol.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-f-cgMethanol.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-g-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-g-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-g_cnt-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-g_cnt-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/CGM-CGM-NB_PairInter-g_cnt-total.dat 200740 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/cgMethanol.1.tpr 200740 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/cgMethanol.2.tpr 43002 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/cgff-M_1.o1015329 98 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/inp.txt 59971 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/log.txt 85 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/log_global.txt 1073 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/log_proc0.txt 1073 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/log_proc1.txt 1073 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/log_proc2.txt 1073 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/log_proc3.txt 1073 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/log_proc4.txt 1073 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/log_proc5.txt 1073 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/log_proc6.txt 1073 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/log_proc7.txt 1789 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/out.txt 426 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/par.txt 279 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/Methanol/qsub.sh 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/ 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-L-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-L-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-b-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-b-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-b-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-b-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-f-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-f-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-f-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-f-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-g-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-g-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-g_cnt-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-g_cnt-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-L-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-L-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-b-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-b-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-b-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-b-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-f-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-f-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-f-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-f-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-g-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-g-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-g_cnt-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-g_cnt-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-g_cnt-total.dat 200908 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/cgMethanolSPH.1.tpr 200908 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/cgMethanolSPH.2.tpr 43146 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/cgff-MSPH_1.o1015330 106 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/inp.txt 118790 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/log.txt 117 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/log_global.txt 1412 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/log_proc0.txt 1412 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/log_proc1.txt 1412 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/log_proc2.txt 1412 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/log_proc3.txt 1412 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/log_proc4.txt 1412 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/log_proc5.txt 1412 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/log_proc6.txt 1412 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/log_proc7.txt 2101 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/out.txt 528 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/par.txt 282 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH/qsub.sh 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/ 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-L-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-L-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-b-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-b-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-b-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-b-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-f-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-f-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-f-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-f-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-g-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-g-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-g_cnt-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-g_cnt-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-L-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-L-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-b-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-b-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-b-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-b-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-f-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-f-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-f-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-f-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-g-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-g-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-g_cnt-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-g_cnt-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-g_cnt-total.dat 200908 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/cgMethanolSPH2.1.tpr 200908 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/cgMethanolSPH2.2.tpr 43194 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/cgff-MSPH2_1.o1015331 108 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/inp.txt 117944 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/log.txt 117 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/log_global.txt 1414 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/log_proc0.txt 1414 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/log_proc1.txt 1414 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/log_proc2.txt 1414 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/log_proc3.txt 1414 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/log_proc4.txt 1414 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/log_proc5.txt 1414 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/log_proc6.txt 1414 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/log_proc7.txt 2105 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/out.txt 528 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/par.txt 283 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/1-site/MethanolSPH2/qsub.sh 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/ 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/ 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-L-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-L-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-b-cgMethanol.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-b-cgMethanol.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-b-cgMethanol.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-b-cgMethanol.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-f-cgMethanol.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-f-cgMethanol.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-f-cgMethanol.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-f-cgMethanol.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-g-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-g-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-g_cnt-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-g_cnt-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-L-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-L-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-b-cgMethanol.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-b-cgMethanol.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-b-cgMethanol.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-b-cgMethanol.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-f-cgMethanol.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-f-cgMethanol.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-f-cgMethanol.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-f-cgMethanol.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-g-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-g-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-g_cnt-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-g_cnt-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGC-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-L-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-L-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-b-cgMethanol.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-b-cgMethanol.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-b-cgMethanol.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-b-cgMethanol.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-f-cgMethanol.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-f-cgMethanol.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-f-cgMethanol.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-f-cgMethanol.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-g-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-g-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-g_cnt-cgMethanol.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-g_cnt-cgMethanol.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/CGO-CGO-NB_PairInter-g_cnt-total.dat 348784 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/cgMethanol.1.tpr 348784 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/cgMethanol.2.tpr 85984 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/cgff-M_2.o1015332 100 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/inp.txt 178280 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log.txt 149 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_global.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc0.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc1.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc10.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc11.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc12.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc13.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc14.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc15.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc2.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc3.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc4.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc5.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc6.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc7.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc8.txt 2031 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/log_proc9.txt 3690 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/out.txt 886 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/par.txt 279 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/Methanol/qsub.sh 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/ 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-L-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-L-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-b-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-b-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-b-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-b-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-f-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-f-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-f-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-f-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-g-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-g-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-g_cnt-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-g_cnt-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-L-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-L-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-b-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-b-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-b-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-b-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-f-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-f-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-f-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-f-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-g-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-g-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-g_cnt-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-g_cnt-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-L-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-L-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-b-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-b-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-b-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-b-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-f-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-f-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-f-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-f-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-g-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-g-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-g_cnt-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-g_cnt-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-L-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-L-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-b-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-b-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-b-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-b-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-f-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-f-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-f-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-f-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-g-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-g-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-g_cnt-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-g_cnt-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-L-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-L-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-b-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-b-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-b-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-b-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-f-cgMethanolSPH.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-f-cgMethanolSPH.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-f-cgMethanolSPH.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-f-cgMethanolSPH.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-g-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-g-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-g_cnt-cgMethanolSPH.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-g_cnt-cgMethanolSPH.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-g_cnt-total.dat 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/cgMethanolSPH.1.tpr 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/cgMethanolSPH.2.tpr 86272 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/cgff-MSPH_2.o1015334 106 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/inp.txt 297686 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log.txt 213 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_global.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc0.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc1.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc10.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc11.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc12.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc13.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc14.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc15.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc2.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc3.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc4.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc5.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc6.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc7.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc8.txt 2657 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/log_proc9.txt 4311 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/out.txt 1084 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/par.txt 282 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH/qsub.sh 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/ 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-L-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-L-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-b-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-b-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-b-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-b-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-f-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-f-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-f-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-f-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-g-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-g-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-g_cnt-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-g_cnt-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-L-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-L-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-b-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-b-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-b-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-b-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-f-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-f-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-f-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-f-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-g-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-g-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-g_cnt-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-g_cnt-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-L-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-L-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-b-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-b-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-b-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-b-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-f-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-f-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-f-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-f-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-g-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-g-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-g_cnt-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-g_cnt-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-L-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-L-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-b-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-b-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-b-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-b-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-f-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-f-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-f-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-f-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-g-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-g-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-g_cnt-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-g_cnt-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-L-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-L-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-b-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-b-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-b-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-b-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-f-cgMethanolSPH2.1.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-f-cgMethanolSPH2.1.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-f-cgMethanolSPH2.2.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-f-cgMethanolSPH2.2.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-g-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-g-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-g_cnt-cgMethanolSPH2.1.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-g_cnt-cgMethanolSPH2.2.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-g_cnt-total.dat 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/cgMethanolSPH2.1.tpr 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/cgMethanolSPH2.2.tpr 86368 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/cgff-MSPH2_2.o1015335 106 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/inp.txt 296030 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log.txt 213 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_global.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc0.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc1.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc10.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc11.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc12.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc13.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc14.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc15.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc2.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc3.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc4.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc5.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc6.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc7.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc8.txt 2659 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/log_proc9.txt 4317 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/out.txt 1084 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/par.txt 283 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/10ns/2-site/MethanolSPH2/qsub.sh 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/ 264 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/ABOUT 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/ 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGC-NB_PairInter-L-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGC-NB_PairInter-b-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGC-NB_PairInter-b-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGC-NB_PairInter-f-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGC-NB_PairInter-f-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGC-NB_PairInter-g-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGC-NB_PairInter-g_cnt-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGO-NB_PairInter-L-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGO-NB_PairInter-b-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGO-NB_PairInter-b-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGO-NB_PairInter-f-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGO-NB_PairInter-f-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGO-NB_PairInter-g-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGC-CGO-NB_PairInter-g_cnt-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGO-CGO-NB_PairInter-L-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGO-CGO-NB_PairInter-b-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGO-CGO-NB_PairInter-b-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGO-CGO-NB_PairInter-f-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGO-CGO-NB_PairInter-f-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGO-CGO-NB_PairInter-g-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/CGO-CGO-NB_PairInter-g_cnt-total.dat 348784 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/cgMethanol.tpr 41584 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/cgff_M1.o1019001 76 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/inp.txt 149096 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log.txt 149 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_global.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc0.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc1.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc10.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc11.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc12.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc13.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc14.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc15.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc2.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc3.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc4.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc5.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc6.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc7.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc8.txt 1921 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/log_proc9.txt 1217 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/out.txt 886 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/par.txt 278 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol1/qsub.sh 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/ 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGC-NB_PairInter-L-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGC-NB_PairInter-b-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGC-NB_PairInter-b-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGC-NB_PairInter-f-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGC-NB_PairInter-f-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGC-NB_PairInter-g-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGC-NB_PairInter-g_cnt-total.dat 18631 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-BondStretch-L-total.dat 18631 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-BondStretch-b-total.forces.dat 18631 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-BondStretch-b-total.struct.dat 18631 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-BondStretch-f-total.forces.dat 18631 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-BondStretch-f-total.struct.dat 18631 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-BondStretch-g-total.dat 18631 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-BondStretch-g_cnt-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-NB_PairInter-L-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-NB_PairInter-b-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-NB_PairInter-b-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-NB_PairInter-f-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-NB_PairInter-f-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-NB_PairInter-g-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGC-CGO-NB_PairInter-g_cnt-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGO-CGO-NB_PairInter-L-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGO-CGO-NB_PairInter-b-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGO-CGO-NB_PairInter-b-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGO-CGO-NB_PairInter-f-total.forces.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGO-CGO-NB_PairInter-f-total.struct.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGO-CGO-NB_PairInter-g-total.dat 21731 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/CGO-CGO-NB_PairInter-g_cnt-total.dat 348784 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/cgMethanol.tpr 41584 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/cgff-M_2.o1019002 76 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/inp.txt 189312 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log.txt 149 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_global.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc0.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc1.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc10.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc11.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc12.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc13.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc14.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc15.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc2.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc3.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc4.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc5.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc6.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc7.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc8.txt 2019 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/log_proc9.txt 1010 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/out.txt 916 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/par.txt 279 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/2500frames/Methanol2/qsub.sh 0 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/ 0 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/ 0 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/ 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/CGM-CGM-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/CGM-CGM-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/CGM-CGM-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/CGM-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/CGM-CGM-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/CGM-CGM-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/CGM-CGM-NB_PairInter-g_cnt-total.dat 200740 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/cgMethanol.tpr 21426 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/cgff-M_1.o1006414 76 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/inp.txt 19924 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/log.txt 85 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/log_global.txt 961 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/log_proc0.txt 961 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/log_proc1.txt 961 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/log_proc2.txt 961 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/log_proc3.txt 961 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/log_proc4.txt 961 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/log_proc5.txt 961 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/log_proc6.txt 961 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/log_proc7.txt 587 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/out.txt 426 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/par.txt 279 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/Methanol/qsub.sh 0 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/ 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/CGM-CGM-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/SPH-CGM-NB_PairInter-g_cnt-total.dat 200908 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/cgMethanolSPH.tpr 21498 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/cgff-MSPH_1.o1006416 79 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/inp.txt 39498 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/log.txt 117 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/log_global.txt 1297 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/log_proc0.txt 1297 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/log_proc1.txt 1297 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/log_proc2.txt 1297 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/log_proc3.txt 1297 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/log_proc4.txt 1297 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/log_proc5.txt 1297 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/log_proc6.txt 1297 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/log_proc7.txt 687 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/out.txt 528 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/par.txt 282 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH/qsub.sh 0 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/ 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-g_cnt-total.dat 200908 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/cgMethanolSPH2.tpr 21522 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/cgff-MSPH2_1.o1006417 80 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/inp.txt 39235 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/log.txt 117 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/log_global.txt 1298 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/log_proc0.txt 1298 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/log_proc1.txt 1298 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/log_proc2.txt 1298 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/log_proc3.txt 1298 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/log_proc4.txt 1298 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/log_proc5.txt 1298 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/log_proc6.txt 1298 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/log_proc7.txt 687 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/out.txt 528 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/par.txt 283 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/1-site/MethanolSPH2/qsub.sh 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/ 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/ 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGC-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGO-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGO-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGO-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGO-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGO-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGO-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/CGO-CGO-NB_PairInter-g_cnt-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGC-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGC-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGC-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGC-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGC-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGC-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGC-NB_PairInter-g_cnt-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGO-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGO-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGO-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGO-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGO-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGO-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/SPH-CGO-NB_PairInter-g_cnt-total.dat 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/cgMethanolSPH.tpr 42976 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/cgff-MSPH_2.o1008050 79 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/inp.txt 79103 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log.txt 213 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_global.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc0.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc1.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc10.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc11.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc12.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc13.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc14.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc15.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc2.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc3.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc4.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc5.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc6.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc7.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc8.txt 2541 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/log_proc9.txt 1416 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/out.txt 1084 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/par.txt 282 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/qsub.sh 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/temp/ 3472 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/temp/SPH-CGC-NB_PairInter-f-total.forces.dat 3534 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/temp/SPH-CGO-NB_PairInter-f-total.forces.dat 1759 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/temp/fit-f.SPH-CGC.dat 1838 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH/temp/fit-f.SPH-CGO.dat 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/ 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGC-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGO-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGO-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGO-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGO-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGO-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGO-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/CGO-CGO-NB_PairInter-g_cnt-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGC-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGC-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGC-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGC-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGC-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGC-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGC-NB_PairInter-g_cnt-total.dat 4371 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGO-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGO-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGO-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGO-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGO-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGO-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/SPH-CGO-NB_PairInter-g_cnt-total.dat 348952 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/cgMethanolSPH2.tpr 43024 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/cgff-MSPH2_2.o1008051 80 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/inp.txt 78839 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log.txt 213 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_global.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc0.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc1.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc10.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc11.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc12.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc13.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc14.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc15.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc2.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc3.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc4.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc5.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc6.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc7.txt 2542 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc8.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/log_proc9.txt 1416 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/out.txt 1084 05-04-2012 14:06 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/par.txt 283 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site-larger-bins/MethanolSPH2/qsub.sh 0 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/ 0 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/ 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGC-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGO-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGO-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGO-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGO-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGO-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGO-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/CGO-CGO-NB_PairInter-g_cnt-total.dat 348784 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/cgMethanol.tpr 42832 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/cgff-M_2.o1006418 76 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/inp.txt 59322 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log.txt 149 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_global.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc0.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc1.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc10.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc11.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc12.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc13.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc14.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc15.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc2.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc3.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc4.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc5.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc6.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc7.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc8.txt 1919 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/log_proc9.txt 1216 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/out.txt 886 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/par.txt 279 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/Methanol/qsub.sh 0 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/ 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGC-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/CGO-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/SPH-CGO-NB_PairInter-g_cnt-total.dat 348952 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/cgMethanolSPH.tpr 42976 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/cgff-MSPH_2.o1006419 79 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/inp.txt 99073 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log.txt 213 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_global.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc0.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc1.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc10.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc11.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc12.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc13.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc14.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc15.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc2.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc3.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc4.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc5.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc6.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc7.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc8.txt 2542 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/log_proc9.txt 1417 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/out.txt 1084 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/par.txt 282 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/qsub.sh 0 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/temp/ 6913 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/temp/CGC-CGC-NB_PairInter-f-total.forces.dat 7068 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/temp/CGC-CGO-NB_PairInter-f-total.forces.dat 6944 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/temp/SPH-CGC-NB_PairInter-f-total.forces.dat 7037 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/temp/SPH-CGO-NB_PairInter-f-total.forces.dat 3709 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/temp/fit-SPH-CGC.dat 3739 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH/temp/fit-SPH-CGO.dat 0 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/ 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-g_cnt-total.dat 348952 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/cgMethanolSPH2.tpr 43024 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/cgff-MSPH2_2.o1006420 80 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/inp.txt 98511 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log.txt 213 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_global.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc0.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc1.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc10.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc11.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc12.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc13.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc14.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc15.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc2.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc3.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc4.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc5.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc6.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc7.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc8.txt 2543 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/log_proc9.txt 1417 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/out.txt 1084 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/par.txt 283 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/2-site/MethanolSPH2/qsub.sh 74759 05-04-2012 14:05 methanol-ref/CGFF/using-forces/No-Ref-Pot/5ns/Compare-bin-widths.agr 0 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/ 0 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/ 0 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/ 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/CGM-CGM-f.ref.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-L-cgMethanolSPH.1.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-L-cgMethanolSPH.2.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-b-cgMethanolSPH.1.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-b-cgMethanolSPH.1.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-b-cgMethanolSPH.2.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-b-cgMethanolSPH.2.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-f-cgMethanolSPH.1.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-f-cgMethanolSPH.1.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-f-cgMethanolSPH.2.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-f-cgMethanolSPH.2.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-g-cgMethanolSPH.1.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-g-cgMethanolSPH.2.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-g_cnt-cgMethanolSPH.1.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-g_cnt-cgMethanolSPH.2.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/SPH-CGM-NB_PairInter-g_cnt-total.dat 200908 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/cgMethanolSPH.1.tpr 180780000 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/cgMethanolSPH.1.trr 200908 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/cgMethanolSPH.2.tpr 180816156 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/cgMethanolSPH.2.trr 86272 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/cgff-ms.o1019247 108 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/inp.txt 45090 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log.txt 85 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_global.txt 1402 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc0.txt 1402 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc1.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc10.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc11.txt 1402 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc12.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc13.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc14.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc15.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc2.txt 1402 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc3.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc4.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc5.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc6.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc7.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc8.txt 1402 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/log_proc9.txt 1801 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/out.txt 523 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/par.txt 278 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/qsub.sh 145 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/1-site/ref.txt 0 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/ref_forces/ 7037 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/ref_forces/CGM-CGM-NB_PairInter-f-total.forces.dat 8400 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/ref_forces/CGM-CGM-f.ref.dat 285 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/1-site/ref_forces/run.sh 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/ 7037 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/CGM-CGM-NB_PairInter-f-total.forces.dat 3472 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/SPH-CGM-NB_PairInter-f-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/do_table.sh 20910 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/f-CGM_CGM.dat 20910 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/f-CGM_SPH.dat 20910 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/p-CGM_CGM.dat 20910 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/p-CGM_SPH.dat 279 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/run.sh 9566 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/smooth-f.CGM-CGM.dat 9077 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/smooth-f.CGM-SPH.dat 146089 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/table_CGM_CGM.xvg 145838 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/1-site/tables/table_CGM_SPH.xvg 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/ 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/ 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/ 8430 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/CGC-CGC-f.ref.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/CGC-CGO-BondStretch-L-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/CGC-CGO-BondStretch-b-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/CGC-CGO-BondStretch-b-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/CGC-CGO-BondStretch-f-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/CGC-CGO-BondStretch-f-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/CGC-CGO-BondStretch-g-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/CGC-CGO-BondStretch-g_cnt-total.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/CGC-CGO-f.ref.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/CGO-CGO-f.ref.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/SPH-CGO-NB_PairInter-g_cnt-total.dat 176954 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/bond.ref.dat 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/cgMethanolSPH.tpr 47344 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/cgff.o1019211 79 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/inp.txt 54026 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log.txt 117 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_global.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc0.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc1.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc10.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc11.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc12.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc13.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc14.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc15.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc2.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc3.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc4.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc5.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc6.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc7.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc8.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/log_proc9.txt 907 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/out.txt 1099 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/par.txt 275 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/qsub.sh 313 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin1/ref.txt 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/ 8430 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/CGC-CGC-f.ref.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/CGC-CGO-BondStretch-L-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/CGC-CGO-BondStretch-b-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/CGC-CGO-BondStretch-b-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/CGC-CGO-BondStretch-f-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/CGC-CGO-BondStretch-f-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/CGC-CGO-BondStretch-g-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/CGC-CGO-BondStretch-g_cnt-total.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/CGC-CGO-f.ref.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/CGO-CGO-f.ref.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGC-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGC-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGC-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGC-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGC-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGC-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGC-NB_PairInter-g_cnt-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGO-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGO-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGO-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGO-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGO-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGO-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/SPH-CGO-NB_PairInter-g_cnt-total.dat 176954 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/bond.ref.dat 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/cgMethanolSPH.tpr 47344 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/cgff.o1019210 79 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/inp.txt 34567 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log.txt 117 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_global.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc0.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc1.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc10.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc11.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc12.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc13.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc14.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc15.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc2.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc3.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc4.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc5.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc6.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc7.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc8.txt 2605 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/log_proc9.txt 907 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/out.txt 1099 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/par.txt 275 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/qsub.sh 313 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin2/ref.txt 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/ 8430 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/CGC-CGC-f.ref.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/CGC-CGO-BondStretch-L-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/CGC-CGO-BondStretch-b-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/CGC-CGO-BondStretch-b-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/CGC-CGO-BondStretch-f-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/CGC-CGO-BondStretch-f-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/CGC-CGO-BondStretch-g-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/CGC-CGO-BondStretch-g_cnt-total.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/CGC-CGO-f.ref.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/CGO-CGO-f.ref.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGC-NB_PairInter-L-total.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGC-NB_PairInter-b-total.forces.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGC-NB_PairInter-b-total.struct.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGC-NB_PairInter-f-total.forces.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGC-NB_PairInter-f-total.struct.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGC-NB_PairInter-g-total.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGC-NB_PairInter-g_cnt-total.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGO-NB_PairInter-L-total.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGO-NB_PairInter-b-total.forces.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGO-NB_PairInter-b-total.struct.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGO-NB_PairInter-f-total.forces.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGO-NB_PairInter-f-total.struct.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGO-NB_PairInter-g-total.dat 2201 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/SPH-CGO-NB_PairInter-g_cnt-total.dat 176954 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/bond.ref.dat 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/cgMethanolSPH.tpr 47344 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/cgff.o1019093 79 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/inp.txt 24949 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log.txt 117 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_global.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc0.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc1.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc10.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc11.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc12.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc13.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc14.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc15.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc2.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc3.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc4.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc5.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc6.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc7.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc8.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/log_proc9.txt 907 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/out.txt 1099 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/par.txt 275 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/qsub.sh 313 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin3/ref.txt 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/ 8430 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/CGC-CGC-f.ref.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/CGC-CGO-BondStretch-L-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/CGC-CGO-BondStretch-b-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/CGC-CGO-BondStretch-b-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/CGC-CGO-BondStretch-f-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/CGC-CGO-BondStretch-f-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/CGC-CGO-BondStretch-g-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/CGC-CGO-BondStretch-g_cnt-total.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/CGC-CGO-f.ref.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/CGO-CGO-f.ref.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGC-NB_PairInter-L-total.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGC-NB_PairInter-b-total.forces.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGC-NB_PairInter-b-total.struct.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGC-NB_PairInter-f-total.forces.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGC-NB_PairInter-f-total.struct.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGC-NB_PairInter-g-total.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGC-NB_PairInter-g_cnt-total.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGO-NB_PairInter-L-total.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGO-NB_PairInter-b-total.forces.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGO-NB_PairInter-b-total.struct.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGO-NB_PairInter-f-total.forces.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGO-NB_PairInter-f-total.struct.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGO-NB_PairInter-g-total.dat 1488 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/SPH-CGO-NB_PairInter-g_cnt-total.dat 176954 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/bond.ref.dat 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/cgMethanolSPH.tpr 47344 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/cgff.o1019094 79 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/inp.txt 21853 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log.txt 117 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_global.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc0.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc1.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc10.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc11.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc12.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc13.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc14.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc15.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc2.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc3.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc4.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc5.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc6.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc7.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc8.txt 2600 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/log_proc9.txt 906 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/out.txt 1099 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/par.txt 275 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/qsub.sh 313 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin4/ref.txt 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/ 8430 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/CGC-CGC-f.ref.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/CGC-CGO-BondStretch-L-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/CGC-CGO-BondStretch-b-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/CGC-CGO-BondStretch-b-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/CGC-CGO-BondStretch-f-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/CGC-CGO-BondStretch-f-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/CGC-CGO-BondStretch-g-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/CGC-CGO-BondStretch-g_cnt-total.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/CGC-CGO-f.ref.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/CGO-CGO-f.ref.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGC-NB_PairInter-L-total.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGC-NB_PairInter-b-total.forces.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGC-NB_PairInter-b-total.struct.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGC-NB_PairInter-f-total.forces.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGC-NB_PairInter-f-total.struct.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGC-NB_PairInter-g-total.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGC-NB_PairInter-g_cnt-total.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGO-NB_PairInter-L-total.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGO-NB_PairInter-b-total.forces.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGO-NB_PairInter-b-total.struct.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGO-NB_PairInter-f-total.forces.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGO-NB_PairInter-f-total.struct.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGO-NB_PairInter-g-total.dat 1116 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/SPH-CGO-NB_PairInter-g_cnt-total.dat 176954 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/bond.ref.dat 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/cgMethanolSPH.tpr 47344 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/cgff.o1019095 79 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/inp.txt 20254 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log.txt 117 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_global.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc0.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc1.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc10.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc11.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc12.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc13.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc14.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc15.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc2.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc3.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc4.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc5.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc6.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc7.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc8.txt 2599 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/log_proc9.txt 906 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/out.txt 1099 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/par.txt 275 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/qsub.sh 313 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/Mar12.2010-test/bin/bin5/ref.txt 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/ 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/ 47632 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/10000frames.o1018362 8430 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/CGC-CGC-f.ref.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/CGC-CGO-BondStretch-L-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/CGC-CGO-BondStretch-b-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/CGC-CGO-BondStretch-b-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/CGC-CGO-BondStretch-f-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/CGC-CGO-BondStretch-f-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/CGC-CGO-BondStretch-g-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/CGC-CGO-BondStretch-g_cnt-total.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/CGC-CGO-f.ref.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/CGO-CGO-f.ref.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGC-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGC-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGC-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGC-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGC-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGC-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGC-NB_PairInter-g_cnt-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGO-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGO-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGO-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGO-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGO-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGO-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/SPH-CGO-NB_PairInter-g_cnt-total.dat 176954 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/bond.ref.dat 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/cgMethanolSPH.10000.tpr 721632156 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/cgMethanolSPH.10000.trr 85 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/inp.txt 34573 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log.txt 117 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_global.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc0.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc1.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc10.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc11.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc12.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc13.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc14.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc15.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc2.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc3.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc4.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc5.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc6.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc7.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc8.txt 2611 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/log_proc9.txt 907 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/out.txt 1099 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/par.txt 282 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/qsub.sh 313 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/10000frames/ref.txt 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/ 41968 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/25000frames.o1018364 8430 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/CGC-CGC-f.ref.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/CGC-CGO-BondStretch-L-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/CGC-CGO-BondStretch-b-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/CGC-CGO-BondStretch-b-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/CGC-CGO-BondStretch-f-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/CGC-CGO-BondStretch-f-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/CGC-CGO-BondStretch-g-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/CGC-CGO-BondStretch-g_cnt-total.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/CGC-CGO-f.ref.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/CGO-CGO-f.ref.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGC-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGC-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGC-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGC-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGC-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGC-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGC-NB_PairInter-g_cnt-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGO-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGO-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGO-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGO-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGO-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGO-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/SPH-CGO-NB_PairInter-g_cnt-total.dat 176954 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/bond.ref.dat 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/cgMethanolSPH.2500.tpr 180462156 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/cgMethanolSPH.2500.trr 84 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/inp.txt 24684 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log.txt 117 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_global.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc0.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc1.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc10.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc11.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc12.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc13.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc14.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc15.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc2.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc3.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc4.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc5.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc6.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc7.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc8.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/log_proc9.txt 907 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/out.txt 1099 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/par.txt 282 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/qsub.sh 313 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/2500frames/ref.txt 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/ 44464 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/5000frames.o1018363 8430 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/CGC-CGC-f.ref.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/CGC-CGO-BondStretch-L-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/CGC-CGO-BondStretch-b-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/CGC-CGO-BondStretch-b-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/CGC-CGO-BondStretch-f-total.forces.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/CGC-CGO-BondStretch-f-total.struct.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/CGC-CGO-BondStretch-g-total.dat 93 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/CGC-CGO-BondStretch-g_cnt-total.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/CGC-CGO-f.ref.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/CGO-CGO-f.ref.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGC-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGC-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGC-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGC-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGC-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGC-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGC-NB_PairInter-g_cnt-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGO-NB_PairInter-L-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGO-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGO-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGO-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGO-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGO-NB_PairInter-g-total.dat 4371 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/SPH-CGO-NB_PairInter-g_cnt-total.dat 176954 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/bond.ref.dat 348952 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/cgMethanolSPH.5000.tpr 360852156 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/cgMethanolSPH.5000.trr 84 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/inp.txt 27998 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log.txt 117 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_global.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc0.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc1.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc10.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc11.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc12.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc13.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc14.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc15.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc2.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc3.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc4.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc5.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc6.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc7.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc8.txt 2610 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/log_proc9.txt 907 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/out.txt 1099 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/par.txt 281 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/qsub.sh 313 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/dr0.010/5000frames/ref.txt 0 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/ 47632 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/10000frames.o1018373 8430 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/CGC-CGC-f.ref.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/CGC-CGO-BondStretch-L-total.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/CGC-CGO-BondStretch-b-total.forces.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/CGC-CGO-BondStretch-b-total.struct.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/CGC-CGO-BondStretch-f-total.forces.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/CGC-CGO-BondStretch-f-total.struct.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/CGC-CGO-BondStretch-g-total.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/CGC-CGO-BondStretch-g_cnt-total.dat 8400 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/CGC-CGO-f.ref.dat 8400 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/CGO-CGO-f.ref.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGC-NB_PairInter-L-total.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGC-NB_PairInter-b-total.forces.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGC-NB_PairInter-b-total.struct.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGC-NB_PairInter-f-total.forces.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGC-NB_PairInter-f-total.struct.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGC-NB_PairInter-g-total.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGC-NB_PairInter-g_cnt-total.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGO-NB_PairInter-L-total.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGO-NB_PairInter-b-total.forces.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGO-NB_PairInter-b-total.struct.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGO-NB_PairInter-f-total.forces.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGO-NB_PairInter-f-total.struct.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGO-NB_PairInter-g-total.dat 2201 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/SPH-CGO-NB_PairInter-g_cnt-total.dat 176954 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/bond.ref.dat 348952 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/cgMethanolSPH.10000.tpr 721632156 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/cgMethanolSPH.10000.trr 85 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/inp.txt 24955 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log.txt 117 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_global.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc0.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc1.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc10.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc11.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc12.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc13.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc14.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc15.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc2.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc3.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc4.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc5.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc6.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc7.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc8.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/log_proc9.txt 907 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/out.txt 1099 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/par.txt 282 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/qsub.sh 313 05-04-2012 14:07 methanol-ref/CGFF/using-forces/RefPot/dr0.020/ref.txt 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/ 99 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/ABOUT 8430 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/CGC-CGC-f.ref.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/CGC-CGO-f.ref.dat 8400 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/CGO-CGO-f.ref.dat 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/bond/ 176954 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/bond/bond.ref.dat 268 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/bond/run.sh 174029 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/bond/test-p.dat 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/extrapolate-forces/ 6975 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/extrapolate-forces/CGC-CGC-NB_PairInter-f-total.forces.dat 7099 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/extrapolate-forces/CGC-CGO-NB_PairInter-f-total.forces.dat 7254 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/extrapolate-forces/CGO-CGO-NB_PairInter-f-total.forces.dat 712 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/extrapolate-forces/run.sh 0 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/original/ 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/original/CGC-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/original/CGC-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/original/CGO-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/original/SPH-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:06 methanol-ref/CGFF/using-forces/RefPot/reference-forces/original/SPH-CGO-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/ 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/ 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/ 9811 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/CGM-CGM-f.ref.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/SPH-CGM-NB_PairInter-L-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/SPH-CGM-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/SPH-CGM-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/SPH-CGM-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/SPH-CGM-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/SPH-CGM-NB_PairInter-g-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/SPH-CGM-NB_PairInter-g_cnt-total.dat 200908 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/cgMethanolSPH.tpr 42976 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/cgff-ms1.o1033832 77 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/inp.txt 17136 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log.txt 85 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_global.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc0.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc1.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc10.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc11.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc12.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc13.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc14.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc15.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc2.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc3.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc4.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc5.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc6.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc7.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc8.txt 1287 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/log_proc9.txt 587 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/out.txt 523 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/par.txt 279 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/qsub.sh 145 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH/ref.txt 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/ 9811 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/CGM-CGM-f.ref.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/SPH-CGM-NB_PairInter-L-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/SPH-CGM-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/SPH-CGM-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/SPH-CGM-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/SPH-CGM-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/SPH-CGM-NB_PairInter-g-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/SPH-CGM-NB_PairInter-g_cnt-total.dat 200908 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/cgMethanolSPH2.tpr 43024 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/cgff-ms2.o1033833 78 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/inp.txt 16994 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log.txt 85 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_global.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc0.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc1.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc10.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc11.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc12.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc13.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc14.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc15.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc2.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc3.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc4.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc5.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc6.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc7.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc8.txt 1288 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/log_proc9.txt 587 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/out.txt 523 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/par.txt 279 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/qsub.sh 145 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/MethanolSPH2/ref.txt 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/cgff-pure-methanol-forces/ 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/cgff-pure-methanol-forces/cut-structure-cgff-force/ 6944 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/cgff-pure-methanol-forces/cut-structure-cgff-force/CGM-CGM-NB_PairInter-f-total.struct.dat 9811 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/cgff-pure-methanol-forces/cut-structure-cgff-force/smooth-f.CGM-CGM.dat 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/cgff-pure-methanol-forces/original/ 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/cgff-pure-methanol-forces/original/CGM-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site.ref-calc/cgff-pure-methanol-forces/original/CGM-CGM-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/ 11628 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/CGFF-1Site-Methanol-Forces.agr 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/CGM-CGM-NB_PairInter-L-total.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/CGM-CGM-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/CGM-CGM-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/CGM-CGM-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/CGM-CGM-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/CGM-CGM-NB_PairInter-g-total.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/CGM-CGM-NB_PairInter-g_cnt-total.dat 200740 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/cgMethanol.tpr 17370 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/cgff-M_1.o1025669 76 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/inp.txt 19911 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/log.txt 85 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/log_global.txt 961 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/log_proc0.txt 961 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/log_proc1.txt 961 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/log_proc2.txt 961 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/log_proc3.txt 961 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/log_proc4.txt 961 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/log_proc5.txt 961 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/log_proc6.txt 961 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/log_proc7.txt 587 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/out.txt 392 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/par.txt 279 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.1-site/qsub.sh 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/ 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/ 10023 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/CGC-CGC-f.ref.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/CGC-CGO-BondStretch-L-total.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/CGC-CGO-BondStretch-b-total.forces.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/CGC-CGO-BondStretch-b-total.struct.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/CGC-CGO-BondStretch-f-total.forces.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/CGC-CGO-BondStretch-f-total.struct.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/CGC-CGO-BondStretch-g-total.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/CGC-CGO-BondStretch-g_cnt-total.dat 9931 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/CGC-CGO-f.ref.dat 9698 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/CGO-CGO-f.ref.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGC-NB_PairInter-L-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGC-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGC-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGC-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGC-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGC-NB_PairInter-g-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGC-NB_PairInter-g_cnt-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGO-NB_PairInter-L-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGO-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGO-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGO-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGO-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGO-NB_PairInter-g-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/SPH-CGO-NB_PairInter-g_cnt-total.dat 176954 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/bond.ref.dat 348952 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/cgMethanolSPH.tpr 42976 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/cgff-2-ms1.o1033834 79 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/inp.txt 27980 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log.txt 117 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_global.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc0.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc1.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc10.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc11.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc12.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc13.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc14.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc15.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc2.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc3.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc4.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc5.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc6.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc7.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc8.txt 2605 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/log_proc9.txt 907 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/out.txt 1099 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/par.txt 281 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/qsub.sh 313 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH/ref.txt 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/ 10023 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/CGC-CGC-f.ref.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/CGC-CGO-BondStretch-L-total.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/CGC-CGO-BondStretch-b-total.forces.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/CGC-CGO-BondStretch-b-total.struct.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/CGC-CGO-BondStretch-f-total.forces.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/CGC-CGO-BondStretch-f-total.struct.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/CGC-CGO-BondStretch-g-total.dat 93 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/CGC-CGO-BondStretch-g_cnt-total.dat 9931 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/CGC-CGO-f.ref.dat 9698 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/CGO-CGO-f.ref.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGC-NB_PairInter-L-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGC-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGC-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGC-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGC-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGC-NB_PairInter-g-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGC-NB_PairInter-g_cnt-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGO-NB_PairInter-L-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGO-NB_PairInter-b-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGO-NB_PairInter-b-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGO-NB_PairInter-f-total.forces.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGO-NB_PairInter-f-total.struct.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGO-NB_PairInter-g-total.dat 4371 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/SPH-CGO-NB_PairInter-g_cnt-total.dat 176954 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/bond.ref.dat 348952 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/cgMethanolSPH2.tpr 43024 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/cgff-2-ms2.o1033837 80 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/inp.txt 27693 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log.txt 117 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_global.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc0.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc1.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc10.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc11.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc12.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc13.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc14.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc15.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc2.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc3.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc4.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc5.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc6.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc7.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc8.txt 2606 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/log_proc9.txt 907 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/out.txt 1099 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/par.txt 281 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/qsub.sh 313 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/MethanolSPH2/ref.txt 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/bond-forces/ 176954 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/bond-forces/bond.CGC-CGO-f.dat 174029 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/bond-forces/bond.CGC-CGO-p.dat 289 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/bond-forces/run.sh 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/cut-cgff-ybg-forces/ 6820 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/cut-cgff-ybg-forces/CGC-CGC-NB_PairInter-f-total.struct.dat 7006 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/cut-cgff-ybg-forces/CGC-CGO-NB_PairInter-f-total.struct.dat 7192 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/cut-cgff-ybg-forces/CGO-CGO-NB_PairInter-f-total.struct.dat 10023 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/cut-cgff-ybg-forces/smooth-f.CGC-CGC.dat 9931 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/cut-cgff-ybg-forces/smooth-f.CGC-CGO.dat 9698 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/cut-cgff-ybg-forces/smooth-f.CGO-CGO.dat 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/original-cgff-forces/ 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/original-cgff-forces/CGC-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/original-cgff-forces/CGC-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/original-cgff-forces/CGC-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/original-cgff-forces/CGC-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/original-cgff-forces/CGO-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site.ref-calc/original-cgff-forces/CGO-CGO-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/ 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGC-NB_PairInter-L-total.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGC-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGC-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGC-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGC-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGC-NB_PairInter-g-total.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGC-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGC-CGO-NB_PairInter-g_cnt-total.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGO-CGO-NB_PairInter-L-total.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGO-CGO-NB_PairInter-b-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGO-CGO-NB_PairInter-b-total.struct.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGO-CGO-NB_PairInter-f-total.forces.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGO-CGO-NB_PairInter-f-total.struct.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGO-CGO-NB_PairInter-g-total.dat 8711 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/CGO-CGO-NB_PairInter-g_cnt-total.dat 348784 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/cgMethanol.tpr 17370 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/cgff-M_2.o1025670 76 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/inp.txt 59296 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/log.txt 149 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/log_global.txt 1919 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/log_proc0.txt 1919 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/log_proc1.txt 1919 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/log_proc2.txt 1919 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/log_proc3.txt 1919 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/log_proc4.txt 1919 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/log_proc5.txt 1919 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/log_proc6.txt 1919 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/log_proc7.txt 1216 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/out.txt 851 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/par.txt 279 05-04-2012 14:07 methanol-ref/CGFF/using-structures/cgff.Methanol.2-site/qsub.sh 0 05-04-2012 13:59 methanol-ref/Jun.2010/ 0 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/ 0 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/ 16024 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/CGM-1000.ref.o1221314 6913 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/L.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/L.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/L.Pair_Interaction.total.CGO-CGO.dat 6913 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/b_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/b_forces.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/b_forces.Pair_Interaction.total.CGO-CGO.dat 6913 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/b_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/b_struct.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/b_struct.Pair_Interaction.total.CGO-CGO.dat 348952 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/cgMethanolSPH.1000.tpr 72156000 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/cgMethanolSPH.1000.trr 14304 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/dg_dz.total.Pair_Interaction.CGC-CGC.dat 14371 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/dg_dz.total.Pair_Interaction.CGC-CGO.dat 14306 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/dg_dz.total.Pair_Interaction.CGO-CGO.dat 294 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/dg_dz.total.Pair_Interaction.SPH-CGC.dat 294 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/dg_dz.total.Pair_Interaction.SPH-CGO.dat 6913 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/f_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/f_forces.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/f_forces.Pair_Interaction.total.CGO-CGO.dat 6913 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/f_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/f_struct.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/f_struct.Pair_Interaction.total.CGO-CGO.dat 6913 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/g.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/g.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/g.Pair_Interaction.total.CGO-CGO.dat 6913 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/g_cnt.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/g_cnt.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/g_cnt.Pair_Interaction.total.CGO-CGO.dat 82 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/inp.txt 87889211 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/log.txt 1451 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/out.total.txt 964 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/par.txt 272 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/qsub.sh 16565 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/ref.CGC-SPH-f.dat 16528 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/ref.CGO-SPH-f.dat 274 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/ref.txt 4455 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/summarize_input.txt 57777 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/1000frames/test_num_soln.dat 0 05-04-2012 13:59 methanol-ref/Jun.2010/cgff-ref/2000frames/ 19144 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/CGM-2000.ref.o1221316 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/L.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/L.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/L.Pair_Interaction.total.CGO-CGO.dat 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/b_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/b_forces.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/b_forces.Pair_Interaction.total.CGO-CGO.dat 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/b_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/b_struct.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff-ref/2000frames/b_struct.Pair_Interaction.total.CGO-CGO.dat 348952 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/cgMethanolSPH.2000.tpr 144312000 05-04-2012 13:59 methanol-ref/Jun.2010/cgff-ref/2000frames/cgMethanolSPH.2000.trr 14307 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/dg_dz.total.Pair_Interaction.CGC-CGC.dat 14371 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/dg_dz.total.Pair_Interaction.CGC-CGO.dat 14308 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/dg_dz.total.Pair_Interaction.CGO-CGO.dat 294 05-04-2012 13:59 methanol-ref/Jun.2010/cgff-ref/2000frames/dg_dz.total.Pair_Interaction.SPH-CGC.dat 294 05-04-2012 13:59 methanol-ref/Jun.2010/cgff-ref/2000frames/dg_dz.total.Pair_Interaction.SPH-CGO.dat 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/f_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/f_forces.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/f_forces.Pair_Interaction.total.CGO-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff-ref/2000frames/f_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/f_struct.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/f_struct.Pair_Interaction.total.CGO-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff-ref/2000frames/g.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/g.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/g.Pair_Interaction.total.CGO-CGO.dat 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/g_cnt.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff-ref/2000frames/g_cnt.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/g_cnt.Pair_Interaction.total.CGO-CGO.dat 82 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/inp.txt 175692730 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/log.txt 1451 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/out.total.txt 964 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/par.txt 272 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/qsub.sh 16565 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/ref.CGC-SPH-f.dat 16528 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/ref.CGO-SPH-f.dat 274 05-04-2012 13:59 methanol-ref/Jun.2010/cgff-ref/2000frames/ref.txt 4455 05-04-2012 13:59 methanol-ref/Jun.2010/cgff-ref/2000frames/summarize_input.txt 57966 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/2000frames/test_num_soln.dat 0 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/ 40166 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/CGM-5000.ref.o1221319 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/L.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/L.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/L.Pair_Interaction.total.CGO-CGO.dat 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/b_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/b_forces.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/b_forces.Pair_Interaction.total.CGO-CGO.dat 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/b_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/b_struct.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/b_struct.Pair_Interaction.total.CGO-CGO.dat 348952 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/cgMethanolSPH.5000.tpr 360780000 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/cgMethanolSPH.5000.trr 14307 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/dg_dz.total.Pair_Interaction.CGC-CGC.dat 14369 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/dg_dz.total.Pair_Interaction.CGC-CGO.dat 14308 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/dg_dz.total.Pair_Interaction.CGO-CGO.dat 294 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/dg_dz.total.Pair_Interaction.SPH-CGC.dat 294 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/dg_dz.total.Pair_Interaction.SPH-CGO.dat 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/f_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/f_forces.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/f_forces.Pair_Interaction.total.CGO-CGO.dat 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/f_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/f_struct.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/f_struct.Pair_Interaction.total.CGO-CGO.dat 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/g.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/g.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/g.Pair_Interaction.total.CGO-CGO.dat 6944 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/g_cnt.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/g_cnt.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/g_cnt.Pair_Interaction.total.CGO-CGO.dat 82 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/inp.txt 219859976 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/log.txt 1451 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/out.total.txt 964 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/par.txt 272 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/qsub.sh 16565 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/ref.CGC-SPH-f.dat 16528 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/ref.CGO-SPH-f.dat 274 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/ref.txt 4455 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/summarize_input.txt 57894 05-04-2012 13:58 methanol-ref/Jun.2010/cgff-ref/5000frames/test_num_soln.dat 0 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/ 0 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/ 82384 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/CGM-1000.2.o1221221 6913 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/L.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/L.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/L.Pair_Interaction.total.CGO-CGO.dat 3472 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/L.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/L.Pair_Interaction.total.SPH-CGO.dat 6913 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/b_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/b_forces.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/b_forces.Pair_Interaction.total.CGO-CGO.dat 3472 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/b_forces.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/b_forces.Pair_Interaction.total.SPH-CGO.dat 6913 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/b_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/b_struct.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/b_struct.Pair_Interaction.total.CGO-CGO.dat 3472 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/b_struct.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/b_struct.Pair_Interaction.total.SPH-CGO.dat 348952 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/cgMethanolSPH.1000.tpr 72156000 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/cgMethanolSPH.1000.trr 14304 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/dg_dz.total.Pair_Interaction.CGC-CGC.dat 14371 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/dg_dz.total.Pair_Interaction.CGC-CGO.dat 14306 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/dg_dz.total.Pair_Interaction.CGO-CGO.dat 6943 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/dg_dz.total.Pair_Interaction.SPH-CGC.dat 6939 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/dg_dz.total.Pair_Interaction.SPH-CGO.dat 6913 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/f_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/f_forces.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/f_forces.Pair_Interaction.total.CGO-CGO.dat 3472 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/f_forces.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/f_forces.Pair_Interaction.total.SPH-CGO.dat 6913 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/f_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/f_struct.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/f_struct.Pair_Interaction.total.CGO-CGO.dat 3472 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/f_struct.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/f_struct.Pair_Interaction.total.SPH-CGO.dat 6913 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/g.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/g.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/g.Pair_Interaction.total.CGO-CGO.dat 3472 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/g.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/g.Pair_Interaction.total.SPH-CGO.dat 6913 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/g_cnt.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/g_cnt.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/g_cnt.Pair_Interaction.total.CGO-CGO.dat 3472 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/g_cnt.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/g_cnt.Pair_Interaction.total.SPH-CGO.dat 82 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/inp.txt 112824 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/log.txt 1907 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/out.total.txt 933 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/par.txt 270 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/qsub.sh 3975 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/summarize_input.txt 76647 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/1000frames/test_num_soln.dat 0 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/ 19144 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/CGM-2000.2.o1221223 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/L.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/L.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/L.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/L.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/L.Pair_Interaction.total.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/b_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/b_forces.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/b_forces.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/b_forces.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/b_forces.Pair_Interaction.total.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/b_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/b_struct.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/b_struct.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/b_struct.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/b_struct.Pair_Interaction.total.SPH-CGO.dat 348952 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/cgMethanolSPH.2000.tpr 144312000 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/cgMethanolSPH.2000.trr 14307 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/dg_dz.total.Pair_Interaction.CGC-CGC.dat 14371 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/dg_dz.total.Pair_Interaction.CGC-CGO.dat 14308 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/dg_dz.total.Pair_Interaction.CGO-CGO.dat 6925 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/dg_dz.total.Pair_Interaction.SPH-CGC.dat 6917 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/dg_dz.total.Pair_Interaction.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/f_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/f_forces.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/f_forces.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/f_forces.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/f_forces.Pair_Interaction.total.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/f_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/f_struct.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/f_struct.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/f_struct.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/f_struct.Pair_Interaction.total.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/g.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/g.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/g.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/g.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/g.Pair_Interaction.total.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/g_cnt.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/g_cnt.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/g_cnt.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/g_cnt.Pair_Interaction.total.SPH-CGC.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/g_cnt.Pair_Interaction.total.SPH-CGO.dat 82 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/inp.txt 112890 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/log.txt 1907 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/out.total.txt 933 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/par.txt 270 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/qsub.sh 3975 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/summarize_input.txt 76897 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/2000frames/test_num_soln.dat 0 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/ 40166 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/CGM-5000.2.o1221227 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/L.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/L.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/L.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/L.Pair_Interaction.total.SPH-CGC.dat 3534 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/L.Pair_Interaction.total.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/b_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/b_forces.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/b_forces.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/b_forces.Pair_Interaction.total.SPH-CGC.dat 3534 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/b_forces.Pair_Interaction.total.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/b_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/b_struct.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/b_struct.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/b_struct.Pair_Interaction.total.SPH-CGC.dat 3534 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/b_struct.Pair_Interaction.total.SPH-CGO.dat 348952 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/cgMethanolSPH.5000.tpr 360780000 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/cgMethanolSPH.5000.trr 14307 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/dg_dz.total.Pair_Interaction.CGC-CGC.dat 14369 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/dg_dz.total.Pair_Interaction.CGC-CGO.dat 14308 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/dg_dz.total.Pair_Interaction.CGO-CGO.dat 6921 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/dg_dz.total.Pair_Interaction.SPH-CGC.dat 6913 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/dg_dz.total.Pair_Interaction.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/f_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/f_forces.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/f_forces.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/f_forces.Pair_Interaction.total.SPH-CGC.dat 3534 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/f_forces.Pair_Interaction.total.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/f_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/f_struct.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/f_struct.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/f_struct.Pair_Interaction.total.SPH-CGC.dat 3534 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/f_struct.Pair_Interaction.total.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/g.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/g.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/g.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/g.Pair_Interaction.total.SPH-CGC.dat 3534 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/g.Pair_Interaction.total.SPH-CGO.dat 6944 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/g_cnt.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/g_cnt.Pair_Interaction.total.CGC-CGO.dat 7254 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/g_cnt.Pair_Interaction.total.CGO-CGO.dat 3503 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/g_cnt.Pair_Interaction.total.SPH-CGC.dat 3534 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/g_cnt.Pair_Interaction.total.SPH-CGO.dat 82 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/inp.txt 112912 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/log.txt 1907 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/out.total.txt 933 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/par.txt 270 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/qsub.sh 3975 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/summarize_input.txt 77013 05-04-2012 13:59 methanol-ref/Jun.2010/cgff/5000frames/test_num_soln.dat 0 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/ 6913 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/L.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/L.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/L.Pair_Interaction.total.CGO-CGO.dat 16024 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/NoSPH.o1221336 6913 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/b_forces.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/b_forces.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/b_forces.Pair_Interaction.total.CGO-CGO.dat 6913 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/b_struct.Pair_Interaction.total.CGC-CGC.dat 7099 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methanol-ref/Jun.2010/ignoreSPH/f_forces.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/f_forces.Pair_Interaction.total.CGO-CGO.dat 6913 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/f_struct.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/f_struct.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/f_struct.Pair_Interaction.total.CGO-CGO.dat 6913 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/g.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/g.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/g.Pair_Interaction.total.CGO-CGO.dat 6913 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/g_cnt.Pair_Interaction.total.CGC-CGC.dat 7099 05-04-2012 13:58 methanol-ref/Jun.2010/ignoreSPH/g_cnt.Pair_Interaction.total.CGC-CGO.dat 7223 05-04-2012 13:58 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methanol-ref/Jun.2010/plots/IgnoreSphTest.agr 71852 05-04-2012 13:58 methanol-ref/Jun.2010/plots/IgnoreSphTestDiff.agr 0 05-04-2012 13:37 methanol-ref/MAITI/ 109 05-04-2012 13:37 methanol-ref/MAITI/1c.gro 109 05-04-2012 13:37 methanol-ref/MAITI/box.gro 28230 05-04-2012 13:37 methanol-ref/MAITI/index.ndx 397 05-04-2012 13:37 methanol-ref/MAITI/maiti_par.itp 8928 05-04-2012 13:37 methanol-ref/MAITI/nvt_old.mdp 62614 05-04-2012 13:37 methanol-ref/MAITI/plate_0c-1c.gro 334 05-04-2012 13:37 methanol-ref/MAITI/plate_0c-1c.itp 242 05-04-2012 13:37 methanol-ref/MAITI/plate_0c-1c.top 8959 05-04-2012 13:37 methanol-ref/MAITI/prod_old.mdp 201 05-04-2012 13:37 methanol-ref/MAITI/qsub.sh 4621 05-04-2012 13:37 methanol-ref/MAITI/reverse.sh 947 05-04-2012 13:37 methanol-ref/MAITI/run 3930 05-04-2012 13:37 methanol-ref/MAITI/run-tut.sh 717 05-04-2012 13:37 methanol-ref/MAITI/run0-tut.sh 622 05-04-2012 13:37 methanol-ref/MAITI/run0.sh 468134 05-04-2012 13:37 methanol-ref/MAITI/table.xvg 464292 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methanol-ref/Mar17.2010/AA-mapping-1000frames-Methanol/2-site/mdout.mdp 0 05-04-2012 13:59 methanol-ref/Mar17.2010/AA-traj-1000frames-Methanol/ 414047 05-04-2012 13:59 methanol-ref/Mar17.2010/AA-traj-1000frames-Methanol/Methanol.ref.gro 11534 05-04-2012 13:59 methanol-ref/Mar17.2010/AA-traj-1000frames-Methanol/Methanol.ref.log --------- ------- 5732016465 2240 files ===================================================== Content of ZIP archive methanol-ref-11.zip ===================================================== Archive: methanol-ref-11.zip Length Date Time Name --------- ---------- ----- ---- 216120000 05-04-2012 13:59 methanol-ref/Mar17.2010/AA-traj-1000frames-Methanol/Methanol.ref.trr 574 05-04-2012 13:59 methanol-ref/Mar17.2010/AA-traj-1000frames-Methanol/reduce_frames.sh 0 05-04-2012 13:58 methanol-ref/PICTURES/ 0 05-04-2012 13:58 methanol-ref/PICTURES/mapping/ 414153 05-04-2012 13:58 methanol-ref/PICTURES/mapping/aaFRAME.gro 43129 05-04-2012 13:58 methanol-ref/PICTURES/mapping/aaMethanol-1Molec.jpg 540495 05-04-2012 13:58 methanol-ref/PICTURES/mapping/aaMethanol-1Molec.tga 421943 05-04-2012 13:58 methanol-ref/PICTURES/mapping/aaMethanolSPH.jpg 992154 05-04-2012 13:58 methanol-ref/PICTURES/mapping/aaMethanolSPH.tga 69155 05-04-2012 13:58 methanol-ref/PICTURES/mapping/cgFRAME.1site.gro 138155 05-04-2012 13:58 methanol-ref/PICTURES/mapping/cgFRAME.2site.gro 55873 05-04-2012 13:58 methanol-ref/PICTURES/mapping/cgMethanol-1Molec-1Site.jpg 540495 05-04-2012 13:58 methanol-ref/PICTURES/mapping/cgMethanol-1Molec-1Site.tga 61663 05-04-2012 13:58 methanol-ref/PICTURES/mapping/cgMethanol-1Molec-2Site.jpg 540495 05-04-2012 13:58 methanol-ref/PICTURES/mapping/cgMethanol-1Molec-2Site.tga 622276 05-04-2012 13:58 methanol-ref/PICTURES/mapping/cgMethanolSPH-1Site-mixed.jpg 992154 05-04-2012 13:58 methanol-ref/PICTURES/mapping/cgMethanolSPH-1Site-mixed.tga 159341 05-04-2012 13:58 methanol-ref/PICTURES/mapping/cgMethanolSPH-1Site.jpg 992154 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methanol-ref/RESULTS/Week.April.30.2010/AA/orient.AA.1.4-1.6.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/AA/orient.AA.1.6-1.8.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/AA/orient.AA.1.8-2.0.dat 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/CG/ 638 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/CG/orient.CG.0.0-0.2.dat 823 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/CG/orient.CG.0.2-0.4.dat 838 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/CG/orient.CG.0.4-0.6.dat 838 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/CG/orient.CG.0.6-0.8.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/CG/orient.CG.0.8-1.0.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/CG/orient.CG.1.0-1.2.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/CG/orient.CG.1.2-1.4.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/CG/orient.CG.1.4-1.6.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/CG/orient.CG.1.6-1.8.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/CG/orient.CG.1.8-2.0.dat 47011 05-04-2012 14:05 methanol-ref/RESULTS/Week.April.30.2010/orientation-updated-MetholSPH.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/ 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/aa-potential-WCA/ 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/aa-potential-WCA/MethanolSPH/ 162027 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/aa-potential-WCA/MethanolSPH/potential_SPH_C.dat 162027 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/aa-potential-WCA/MethanolSPH/potential_SPH_HC.dat 162027 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/aa-potential-WCA/MethanolSPH/potential_SPH_O.dat 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/aa-potential-WCA/MethanolSPH2/ 162027 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/aa-potential-WCA/MethanolSPH2/potential_SPH_C.dat 162027 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/aa-potential-WCA/MethanolSPH2/potential_SPH_HC.dat 162027 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/aa-potential-WCA/MethanolSPH2/potential_SPH_O.dat 369767 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/aa-potential-WCA/WCA-AA-Potential.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/ 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/1-site/ 15684 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/1-site/Forces-CGM-SPH-1SiteModel.agr 21962 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/1-site/Forces-CGMethanol-1SiteModel.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/1-site/Methanol/ 8711 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/1-site/Methanol/CGM-CGM-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/1-site/MethanolSPH/ 8711 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/1-site/MethanolSPH/CGM-CGM-NB_PairInter-f-total.forces.dat 6944 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/1-site/MethanolSPH/SPH-CGM-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/1-site/MethanolSPH2/ 8711 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/1-site/MethanolSPH2/CGM-CGM-NB_PairInter-f-total.forces.dat 6262 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/1-site/MethanolSPH2/SPH-CGM-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/ 58255 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/Forces-CGM-2Site-Model.agr 29429 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/Forces-SPH-CGM-2Site-Model.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/Methanol/ 6975 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/Methanol/CGC-CGC-NB_PairInter-f-total.forces.dat 7099 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/Methanol/CGC-CGO-NB_PairInter-f-total.forces.dat 7254 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/Methanol/CGO-CGO-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH/ 6944 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH/CGC-CGC-NB_PairInter-f-total.forces.dat 7099 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH/CGC-CGO-NB_PairInter-f-total.forces.dat 7254 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH/CGO-CGO-NB_PairInter-f-total.forces.dat 6944 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH/SPH-CGC-NB_PairInter-f-total.forces.dat 7037 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH/SPH-CGO-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH2/ 6944 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH2/CGC-CGC-NB_PairInter-f-total.forces.dat 7099 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH2/CGC-CGO-NB_PairInter-f-total.forces.dat 7254 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH2/CGO-CGO-NB_PairInter-f-total.forces.dat 6262 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH2/SPH-CGC-NB_PairInter-f-total.forces.dat 6355 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/2-site/MethanolSPH2/SPH-CGO-NB_PairInter-f-total.forces.dat 224 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/cgff-forces-no-ref-potential/ABOUT 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/ 155 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/AA-Sims.tex 106 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/CG-Sims.tex 315 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/CGFF.tex 35327 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/Figures.log 925 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/Figures.tex 992 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/Methanol-ref.aux 5479 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/Methanol-ref.log 521009 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/Methanol-ref.pdf 311 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/Methanol-ref.tex 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/figures/ 107581 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/figures/Forces-CGM-2Site-Model.jpg 90997 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/figures/Forces-CGM-SPH-1SiteModel.jpg 82097 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/figures/Forces-CGMethanol-1SiteModel.jpg 113670 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/figures/Forces-SPH-CGM-2Site-Model.jpg 100749 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar14-20.2010/document/figures/WCA-AA-Potential.jpg 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/ 14325 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/BondDist-2-site-MethanolSPH.agr 28025 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/CGFF-forces-1000frames-1Site-Methanol.agr 14416 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/Compare-RDF-SPH-CGM-2Site-MethanolSHP.agr 153488 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/Forces-MethanolSPH-2-site.agr 14873 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/Orientation-MethanolSPH.agr 156495 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/Potential-MethanolSPH-2-site.agr 35779 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/RDFs-MethanolSPH-1site.agr 90676 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/RDFs-MethanolSPH-2-site.agr 48049 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/forces-1Site-MethanolSPH.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/not-used/ 14200 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/not-used/BondDist-2-site-MethanolSPH-fit-expans.agr 14287 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/not-used/BondDist-2-site-MethanolSPH-repulsive1.agr 14112 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/not-used/BondDist-2-site-MethanolSPH2-repulsive2.agr 10757 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/not-used/Orientation-MethanolSPH2.agr 90902 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/not-used/RDFs-MethanolSPH-2-site-fit-expans.agr 90942 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/not-used/RDFs-MethanolSPH-2-site-repulsive1-expans.agr 90553 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/not-used/RDFs-MethanolSPH-2-site-repulsive2-expans.agr 35647 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/not-used/RDFs-MethanolSPH2-1site.agr 49139 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar21.2010/potential-1Site-MethanolSPH.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/ 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/ 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/ 1017 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.0.0-0.4.dat 1035 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.0.1-0.5.dat 1039 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.0.2-0.6.dat 1039 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.0.3-0.7.dat 1039 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.0.4-0.8.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.0.5-0.9.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.0.6-1.0.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.0.7-1.1.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.0.8-1.2.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.0.9-1.3.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.1.0-1.4.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.1.1-1.5.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.1.2-1.6.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.1.3-1.7.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.1.4-1.8.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.1.5-1.9.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/AA/aaMethanolSPH.orientation.1.6-2.0.dat 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/ 1016 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.0.0-0.4.dat 1036 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.0.1-0.5.dat 1039 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.0.2-0.6.dat 1039 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.0.3-0.7.dat 1039 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.0.4-0.8.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.0.5-0.9.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.0.6-1.0.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.0.7-1.1.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.0.8-1.2.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.0.9-1.3.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.1.0-1.4.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.1.1-1.5.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.1.2-1.6.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.1.3-1.7.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.1.4-1.8.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.1.5-1.9.dat 1070 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/CG/aaMethanolSPH.orientation.1.6-2.0.dat 82879 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.4/Compare.orientation.2siteModel.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/ 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/ 838 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.0.0-0.5.dat 838 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.0.1-0.6.dat 838 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.0.2-0.7.dat 860 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.0.3-0.8.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.0.4-0.9.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.0.5-1.0.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.0.6-1.1.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.0.7-1.2.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.0.8-1.3.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.0.9-1.4.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.1.0-1.5.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.1.1-1.6.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.1.2-1.7.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.1.3-1.8.dat 888 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.1.4-1.9.dat 888 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/AA/aaMethanolSPH.orientation.1.5-2.0.dat 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/ 836 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.0.0-0.5.dat 838 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.0.1-0.6.dat 838 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.0.2-0.7.dat 859 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.0.3-0.8.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.0.4-0.9.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.0.5-1.0.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.0.6-1.1.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.0.7-1.2.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.0.8-1.3.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.0.9-1.4.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.1.0-1.5.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.1.1-1.6.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.1.2-1.7.dat 863 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.1.3-1.8.dat 888 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.1.4-1.9.dat 888 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/CG/aaMethanolSPH.orientation.1.5-2.0.dat 77092 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar30.2010/orientation-bin0.5/Orientation.bin0.5.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/ 14192 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/BondDist.2-site.MethanolSPH.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/ 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/ 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/forces/ 20910 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/forces/f-CGM_CGM.dat 20910 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/forces/f-CGM_SPH.dat 37744 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/forces/forces.1-site.MethanolSPH.agr 20910 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/forces/p-CGM_CGM.dat 20910 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/forces/p-CGM_SPH.dat 38595 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/forces/potential.1-site.MethanolSPH.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/rdfs/ 11599 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/rdfs/rdf.cg-sim.CGM-CGM.xvg 4919 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/rdfs/rdf.cg-sim.SPH-CGM.xvg 11693 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/rdfs/rdf.mapped.CGM-CGM.xvg 4982 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/1-site/rdfs/rdf.mapped.SPH-CGM.xvg 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/ 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/bonds/ 3666 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/bonds/cg-sim.MethanolSPH.bond.xvg 3799 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/bonds/mapped-MethanolSPH.bond.xvg 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/forces/ 20910 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/forces/f-CGC_CGC.dat 20910 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/forces/f-CGC_CGO.dat 20760 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/forces/f-CGC_SPH.dat 20880 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/forces/f-CGO_CGO.dat 20760 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/forces/f-CGO_SPH.dat 20910 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/forces/p-CGC_CGC.dat 20910 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/forces/p-CGC_CGO.dat 20760 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/forces/p-CGC_SPH.dat 20880 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/forces/p-CGO_CGO.dat 20760 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/forces/p-CGO_SPH.dat 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/orientation/ 1340 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/orientation/aa-map.MethanolSPH.orientation.dat 1340 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/orientation/cg-sim.MethanolSPH.orientation.dat 14632 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/orientation/orientation.MethanolSPH.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/rdfs/ 11602 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/rdfs/rdf.cg-sim.CGC-CGC.xvg 11622 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/rdfs/rdf.cg-sim.CGC-CGO.xvg 11624 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/rdfs/rdf.cg-sim.CGO-CGO.xvg 4935 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/rdfs/rdf.cg-sim.SPH-CGC.xvg 4910 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/rdfs/rdf.cg-sim.SPH-CGO.xvg 11730 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/rdfs/rdf.mapped.CGC-CGC.xvg 11734 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/rdfs/rdf.mapped.CGC-CGO.xvg 11719 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/rdfs/rdf.mapped.CGO-CGO.xvg 5033 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/rdfs/rdf.mapped.SPH-CGC.xvg 5044 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/MethanolSPH/2-site/rdfs/rdf.mapped.SPH-CGO.xvg 35601 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/RDFs.MethanolSPH.1site.agr 89935 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/RDFs.MethanolSPH.2-site.agr 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/ 1381 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/Figures.aux 1333 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/Figures.tex 105 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/MethanolSPH.aux 6620 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/MethanolSPH.log 463610 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/MethanolSPH.pdf 191 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/MethanolSPH.tex 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/ 30639 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/BondDist-2-site-MethanolSPH.jpg 37203 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/RDFs-MethanolSPH-1site.jpg 51657 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/RDFs-MethanolSPH-2-site.jpg 76226 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/forces-1-site-MethanolSPH.jpg 45058 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/forces-2-site-MethanolSPH.jpg 85466 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/orientation-MethanolSPH.jpg 66843 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/potential-1-site-MethanolSPH.jpg 44239 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/potential-2-site-MethanolSPH.jpg 0 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/xmgrace-files/ 14192 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/xmgrace-files/BondDist.2-site.MethanolSPH.agr 35601 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/xmgrace-files/RDFs.MethanolSPH.1site.agr 89935 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/xmgrace-files/RDFs.MethanolSPH.2-site.agr 37744 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/xmgrace-files/forces.1-site.MethanolSPH.agr 90677 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/xmgrace-files/forces.2-site.MethanolSPH.agr 14632 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/xmgrace-files/orientation-MethanolSPH.agr 38595 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/xmgrace-files/potential.1-site.MethanolSPH.agr 92555 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/document/figures/xmgrace-files/potential.2-site.MethanolSPH.agr 90677 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/forces.2-site.MethanolSPH.agr 14632 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/orientation.MethanolSPH.agr 92555 05-04-2012 14:05 methanol-ref/RESULTS/Week.Mar6-13.2010/potential.2-site.MethanolSPH.agr 0 05-04-2012 14:07 methanol-ref/start_configuration/ 414083 05-04-2012 14:07 methanol-ref/start_configuration/mdMethanol.ref.1.gro 414116 05-04-2012 14:07 methanol-ref/start_configuration/mdMethanolSPH.ref.1.gro 414116 05-04-2012 14:07 methanol-ref/start_configuration/mdMethanolSPH2.ref.1.gro 0 05-04-2012 14:05 methanol-ref/table_files/ 586 05-04-2012 14:05 methanol-ref/table_files/ABOUT 0 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files.2/ 0 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files.2/src/ 2661 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files.2/src/WCA-table.c 9568 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files.2/src/a.out 33 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files.2/src/comp.sh 0 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/ 0 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH/ 162027 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH/potential_SPH_C.dat 162027 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH/potential_SPH_HC.dat 162027 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH/potential_SPH_O.dat 1499 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH/run-WCA.sh 589558 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH/table_SPH_opls_154.xvg 589404 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH/table_SPH_opls_156.xvg 589644 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH/table_SPH_opls_157.xvg 0 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH2/ 162027 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH2/potential_SPH_C.dat 162027 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH2/potential_SPH_HC.dat 162027 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH2/potential_SPH_O.dat 1499 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH2/run-WCA.sh 590164 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH2/table_SPH_opls_154.xvg 589946 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH2/table_SPH_opls_156.xvg 590286 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/MethanolSPH2/table_SPH_opls_157.xvg 0 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/src/ 3563 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/src/WCA-table.c 9957 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/src/a.out 33 05-04-2012 14:05 methanol-ref/table_files/WCA-table-files/src/comp.sh 0 05-04-2012 14:05 methanol-ref/table_files/table_6_12/ 0 05-04-2012 14:05 methanol-ref/table_files/table_6_12/src/ 7939 05-04-2012 14:05 methanol-ref/table_files/table_6_12/src/a.out 29 05-04-2012 14:05 methanol-ref/table_files/table_6_12/src/comp.sh 1411 05-04-2012 14:05 methanol-ref/table_files/table_6_12/src/table.c 600098 05-04-2012 14:05 methanol-ref/table_files/table_6_12/src/table.xvg 600098 05-04-2012 14:05 methanol-ref/table_files/table_6_12/table.xvg 600098 05-04-2012 14:05 methanol-ref/table_files/table_6_12/tablep.xvg --------- ------- 241793061 330 files