===================================================== Content of ZIP archive Results.zip ===================================================== Archive: Results.zip Length Date Time Name --------- ---------- ----- ---- 0 05-04-2012 13:37 Results/ 0 05-04-2012 13:37 Results/Figures/ 304459 05-04-2012 13:37 Results/Figures/Figure1-mod.agr 112254 05-04-2012 13:37 Results/Figures/Figure1.agr 115402 05-04-2012 13:37 Results/Figures/Figure2.agr 360528 05-04-2012 13:37 Results/Figures/Figure3-mod.agr 293520 05-04-2012 13:37 Results/Figures/Figure3.agr 91352 05-04-2012 13:37 Results/Figures/Figure4.agr 36175 05-04-2012 13:37 Results/Figures/Figure5.agr 0 05-04-2012 13:37 Results/Figures/Figure6/ 410263 05-04-2012 13:37 Results/Figures/Figure6/CGM-SPH-orientation.eps 47949 05-04-2012 13:37 Results/Figures/Figure6/CGM-SPH-orientation.jpg 111616 05-04-2012 13:37 Results/Figures/Figure6/CGM-SPH-orientation.ppt 9242 05-04-2012 13:37 Results/Figures/Figure6/CGM-SPH-orientation2.eps 47407 05-04-2012 13:37 Results/Figures/Figure6/CGM-SPH-orientation2.jpg 33776 05-04-2012 13:37 Results/Figures/Figure6/CGM-SPH2.jpg 18377 05-04-2012 13:37 Results/Figures/Figure6/SPH-CGM.vmd 18376 05-04-2012 13:37 Results/Figures/Figure6/State2.vmd 138114 05-04-2012 13:37 Results/Figures/Figure6/cgMethanolSPH.gro 0 05-04-2012 13:37 Results/Figures/butane-dist/ 1319 05-04-2012 13:37 Results/Figures/butane-dist/CH2A-CH2B-CH3B.xvg 9029 05-04-2012 13:37 Results/Figures/butane-dist/CH3-CH2-CH2-CH3.xvg 1305 05-04-2012 13:37 Results/Figures/butane-dist/CH3A-CH2A-CH2B.xvg 304459 05-04-2012 13:37 Results/Figures/butane-dist/Figure1-mod.agr 3471 05-04-2012 13:37 Results/Figures/butane-dist/bond-CH2-CH2.Bu.xvg 3249 05-04-2012 13:37 Results/Figures/butane-dist/bond-CH3-CH2.Bu.xvg 18704 05-04-2012 13:37 Results/Figures/butane-dist/rdfCH2-CH2.xvg 18785 05-04-2012 13:37 Results/Figures/butane-dist/rdfCH2-CH3.xvg 18858 05-04-2012 13:37 Results/Figures/butane-dist/rdfCH3-CH3.xvg 0 05-04-2012 13:37 Results/Figures/methanol-dist/ 360528 05-04-2012 13:37 Results/Figures/methanol-dist/Figure3-mod.agr 10183 05-04-2012 13:37 Results/Figures/methanol-dist/rdf.mapped.CGC-CGC.DispCorrect.1000-6000.xvg 10276 05-04-2012 13:37 Results/Figures/methanol-dist/rdf.mapped.CGC-CGO.DispCorrect.1000-6000.xvg 10419 05-04-2012 13:37 Results/Figures/methanol-dist/rdf.mapped.CGO-CGO.DispCorrect.1000-6000.xvg 4399 05-04-2012 13:37 Results/Figures/methanol-dist/rdf.mapped.SPH-CGC.DispCorrect.1000-6000.xvg 4428 05-04-2012 13:37 Results/Figures/methanol-dist/rdf.mapped.SPH-CGO.DispCorrect.1000-6000.xvg 0 05-04-2012 13:37 Results/Jun6.methanol/ 0 05-04-2012 13:37 Results/Jun6.methanol/Figures/ 228680 05-04-2012 13:37 Results/Jun6.methanol/Figures/CGM-b-convergence-diff.jpg 129487 05-04-2012 13:37 Results/Jun6.methanol/Figures/CGM-b-convergence.agr 169207 05-04-2012 13:37 Results/Jun6.methanol/Figures/CGM-b-convergence.diff.agr 231551 05-04-2012 13:37 Results/Jun6.methanol/Figures/CGM-b-convergence.jpg 126461 05-04-2012 13:37 Results/Jun6.methanol/Figures/CGM-forces-convergence.agr 173283 05-04-2012 13:37 Results/Jun6.methanol/Figures/CGM-forces-convergence.jpg 166388 05-04-2012 13:37 Results/Jun6.methanol/Figures/CGM-forces-differences.agr 172089 05-04-2012 13:37 Results/Jun6.methanol/Figures/CGM-forces-differences.jpg 113256 05-04-2012 13:37 Results/Jun6.methanol/Figures/ConvergTest.agr 155442 05-04-2012 13:37 Results/Jun6.methanol/Figures/ConvergTest.jpg 58032 05-04-2012 13:37 Results/Jun6.methanol/Figures/IgnoreSphTest.agr 122672 05-04-2012 13:37 Results/Jun6.methanol/Figures/IgnoreSphTest.jpg 71852 05-04-2012 13:37 Results/Jun6.methanol/Figures/IgnoreSphTestDiff.agr 123080 05-04-2012 13:37 Results/Jun6.methanol/Figures/IgnoreSphTestDiff.jpg 1184 05-04-2012 13:37 Results/Jun6.methanol/methanol-ref-converg-test.aux 8219 05-04-2012 13:37 Results/Jun6.methanol/methanol-ref-converg-test.log 1239960 05-04-2012 13:37 Results/Jun6.methanol/methanol-ref-converg-test.pdf 2487 05-04-2012 13:37 Results/Jun6.methanol/methanol-ref-converg-test.tex 0 05-04-2012 13:37 Results/butane/ 84599 05-04-2012 13:37 Results/butane/cgff-butane-272K-5000frames-bond-inter.agr 52226 05-04-2012 13:37 Results/butane/cgff-butane-272K-5000frames-bond-inter.eps 42773 05-04-2012 13:37 Results/butane/cgff-butane-272K-5000frames-nb-inter.agr 31125 05-04-2012 13:37 Results/butane/cgff-butane-272K-5000frames-nb-inter.eps 82093 05-04-2012 13:37 Results/butane/cgff-butane-272K-5000frames-smooth-bond-ref-calc.agr 32599 05-04-2012 13:37 Results/butane/cgff-butane-272K-5000frames-smooth-bond-ref-calc.eps 98424 05-04-2012 13:37 Results/butane/cgff-butane-272K-5000frames-smooth-nb-ref-calc.agr 42433 05-04-2012 13:37 Results/butane/cgff-butane-272K-5000frames-smooth-nb-ref-calc.eps 82017 05-04-2012 13:37 Results/butane/diff-cgff-butane-272K-5000frames-smooth-bond-ref-calc.agr 18427 05-04-2012 13:37 Results/butane/diff-cgff-butane-272K-5000frames-smooth-bond-ref-calc.eps 98406 05-04-2012 13:37 Results/butane/diff-cgff-butane-272K-5000frames-smooth-nb-ref-calc.agr 23601 05-04-2012 13:37 Results/butane/diff-cgff-butane-272K-5000frames-smooth-nb-ref-calc.eps 0 05-04-2012 13:37 Results/figure-drafts/ 0 05-04-2012 13:37 Results/figure-drafts/Figure1/ 112254 05-04-2012 13:37 Results/figure-drafts/Figure1/Figure1.agr 0 05-04-2012 13:37 Results/figure-drafts/Figure1/originals/ 2937 05-04-2012 13:37 Results/figure-drafts/Figure1/originals/CH2-CH2-forces.dat 2958 05-04-2012 13:37 Results/figure-drafts/Figure1/originals/CH2-CH2-struct.dat 3004 05-04-2012 13:37 Results/figure-drafts/Figure1/originals/CH3-CH2-forces.dat 2984 05-04-2012 13:37 Results/figure-drafts/Figure1/originals/CH3-CH2-struct.dat 3058 05-04-2012 13:37 Results/figure-drafts/Figure1/originals/CH3-CH3-forces.dat 3059 05-04-2012 13:37 Results/figure-drafts/Figure1/originals/CH3-CH3-struct.dat 84599 05-04-2012 13:37 Results/figure-drafts/Figure1/originals/cgff-butane-272K-5000frames-bond-inter.agr 42773 05-04-2012 13:37 Results/figure-drafts/Figure1/originals/cgff-butane-272K-5000frames-nb-inter.agr 0 05-04-2012 13:37 Results/figure-drafts/Figure2/ 115402 05-04-2012 13:37 Results/figure-drafts/Figure2/Figure2.agr 0 05-04-2012 13:37 Results/figure-drafts/Figure2/orginals/ 2955 05-04-2012 13:37 Results/figure-drafts/Figure2/orginals/CH2-CH2-diff.dat 2936 05-04-2012 13:37 Results/figure-drafts/Figure2/orginals/CH3-CH2-diff.dat 2998 05-04-2012 13:37 Results/figure-drafts/Figure2/orginals/CH3-CH3-diff.dat 82017 05-04-2012 13:37 Results/figure-drafts/Figure2/orginals/diff-cgff-butane-272K-5000frames-smooth-bond-ref-calc.agr 98406 05-04-2012 13:37 Results/figure-drafts/Figure2/orginals/diff-cgff-butane-272K-5000frames-smooth-nb-ref-calc.agr 0 05-04-2012 13:37 Results/figure-drafts/Figure3/ 293520 05-04-2012 13:37 Results/figure-drafts/Figure3/Figure3.agr 0 05-04-2012 13:37 Results/figure-drafts/Figure3/originals/ 119832 05-04-2012 13:37 Results/figure-drafts/Figure3/originals/Potential-MethanolSPH-2-site.agr 369753 05-04-2012 13:37 Results/figure-drafts/Figure3/originals/WCA-AA-Potential.agr 56758 05-04-2012 13:37 Results/figure-drafts/Figure3/originals/WCA.SPH-C.dat 55833 05-04-2012 13:37 Results/figure-drafts/Figure3/originals/WCA.SPH-HC.dat 56406 05-04-2012 13:37 Results/figure-drafts/Figure3/originals/WCA.SPH-O.dat 0 05-04-2012 13:37 Results/figure-drafts/Figure4/ 91352 05-04-2012 13:37 Results/figure-drafts/Figure4/Figure4.agr 0 05-04-2012 13:37 Results/figure-drafts/Figure4/original/ 90673 05-04-2012 13:37 Results/figure-drafts/Figure4/original/RDFs-MethanolSPH-2-site.agr 0 05-04-2012 13:37 Results/figure-drafts/Figure5/ 36175 05-04-2012 13:37 Results/figure-drafts/Figure5/Figure5.agr 0 05-04-2012 13:37 Results/figure-drafts/Figure5/original/ 47011 05-04-2012 13:37 Results/figure-drafts/Figure5/original/orientation-updated-MetholSPH.agr 0 05-04-2012 13:37 Results/figure-drafts/Figure6/ 410263 05-04-2012 13:37 Results/figure-drafts/Figure6/CGM-SPH-orientation.eps 47949 05-04-2012 13:37 Results/figure-drafts/Figure6/CGM-SPH-orientation.jpg 111616 05-04-2012 13:37 Results/figure-drafts/Figure6/CGM-SPH-orientation.ppt 9242 05-04-2012 13:37 Results/figure-drafts/Figure6/CGM-SPH-orientation2.eps 47407 05-04-2012 13:37 Results/figure-drafts/Figure6/CGM-SPH-orientation2.jpg 33776 05-04-2012 13:37 Results/figure-drafts/Figure6/CGM-SPH2.jpg 18377 05-04-2012 13:37 Results/figure-drafts/Figure6/SPH-CGM.vmd 18376 05-04-2012 13:37 Results/figure-drafts/Figure6/State2.vmd 138114 05-04-2012 13:37 Results/figure-drafts/Figure6/cgMethanolSPH.gro 0 05-04-2012 13:37 Results/methanol/ 14321 05-04-2012 13:37 Results/methanol/BondDist-2-site-MethanolSPH.agr 15765 05-04-2012 13:37 Results/methanol/BondDist-2-site-MethanolSPH.eps 72053 05-04-2012 13:37 Results/methanol/CGFF-2Site-Methanol.agr 34564 05-04-2012 13:37 Results/methanol/CGFF-2Site-Methanol.eps 25227 05-04-2012 13:37 Results/methanol/CGFF-Force-1Site-Methanol.agr 19000 05-04-2012 13:37 Results/methanol/CGFF-Force-1Site-Methanol.eps 14423 05-04-2012 13:37 Results/methanol/Compare-RDF-SPH-CGM-2Site-MethanolSHP.agr 16618 05-04-2012 13:37 Results/methanol/Compare-RDF-SPH-CGM-2Site-MethanolSHP.eps 117641 05-04-2012 13:37 Results/methanol/Forces-MethanolSPH-2-site.agr 59754 05-04-2012 13:37 Results/methanol/Forces-MethanolSPH-2-site.eps 119832 05-04-2012 13:37 Results/methanol/Potential-MethanolSPH-2-site.agr 60588 05-04-2012 13:37 Results/methanol/Potential-MethanolSPH-2-site.eps 35776 05-04-2012 13:37 Results/methanol/RDFs-MethanolSPH-1site.agr 32992 05-04-2012 13:37 Results/methanol/RDFs-MethanolSPH-1site.eps 90673 05-04-2012 13:37 Results/methanol/RDFs-MethanolSPH-2-site.agr 72650 05-04-2012 13:37 Results/methanol/RDFs-MethanolSPH-2-site.eps 369753 05-04-2012 13:37 Results/methanol/WCA-AA-Potential.agr 28354 05-04-2012 13:37 Results/methanol/WCA-AA-Potential.eps 48050 05-04-2012 13:37 Results/methanol/forces-1Site-MethanolSPH.agr 26008 05-04-2012 13:37 Results/methanol/forces-1Site-MethanolSPH.eps 47011 05-04-2012 13:37 Results/methanol/orientation-updated-MetholSPH.agr 24008 05-04-2012 13:37 Results/methanol/orientation-updated-MetholSPH.eps 49136 05-04-2012 13:37 Results/methanol/potential-1Site-MethanolSPH.agr 29235 05-04-2012 13:37 Results/methanol/potential-1Site-MethanolSPH.eps --------- ------- 10948480 140 files