===================================================== Content of ZIP archive butane-ref.zip ===================================================== Archive: butane-ref.zip Length Date Time Name --------- ---------- ----- ---- 0 05-04-2012 14:10 butane-ref/ 0 05-04-2012 14:08 butane-ref/CG-sim/ 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/ 6128 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/#mdrun.log.1# 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/ 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/angles/ 6478 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/angles/angle.log 19276 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/angles/angle.ndx 249 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/angles/angle.sh 1404 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/angles/angle.xvg 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/bonds/ 5102 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/bonds/CH2_CH2.log 11202 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/bonds/CH2_CH2.xvg 5131 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/bonds/CH3_CH2.log 11027 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/bonds/CH3_CH2.xvg 11577 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/bonds/bond.ndx 465 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/bonds/bond.sh 191466 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/bonds/dist.CH2_CH2.xvg 191481 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/bonds/dist.CH3_CH2.xvg 76010 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/cgBu-bond-dist.agr 92731 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/cgBu-rdfs.agr 44524 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/cgBu.tpr 548400000 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/cgBu.trr 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/dihedrals/ 6485 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/dihedrals/dihedral.log 7715 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/dihedrals/dihedral.ndx 287 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/dihedrals/dihedral.sh 9008 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/dihedrals/dihedral.xvg 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/rdfs/ 23140 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/rdfs/cgBu.ndx 2977 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/rdfs/ndx.log 673 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/rdfs/rdf.sh 6259 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/rdfs/rdfCH2-CH2.log 21941 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/rdfs/rdfCH2-CH2.xvg 6274 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/rdfs/rdfCH3-CH2.log 21935 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/rdfs/rdfCH3-CH2.xvg 6265 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/rdfs/rdfCH3-CH3.log 21924 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/analysis/rdfs/rdfCH3-CH3.xvg 200 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/cg-butane.o1026071 7569352 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/cgBu.edr 104920 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/cgBu.gro 2012 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/cgBu.mdp 45805 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/cgBu.prod.log 1519 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/cgBu.top 44524 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/cgBu.tpr 603294840 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/cgBu.trr 104920 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/confout.gro 4002 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/grompp.log 9909 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/mdout-cgBu.mdp 5428660 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/mdrun.log 222 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/qsub.sh 367 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/reduce_frames.sh 1679 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/run_gmx.sh 0 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/ 104920 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/cgBu.gro 2005 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/cgBu.mdp 1519 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/cgBu.top 338 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/gmx4_s.sh 146850 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/table_CH2_CH2.xvg 146949 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/table_CH3_CH2.xvg 147053 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/table_CH3_CH3.xvg 74591 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/table_a2.xvg 82376 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/table_b0.xvg 82395 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/table_b1.xvg 29922 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/table_d4.xvg 15431 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/start-files/table_index.ndx 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/ 104920 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/cgBu.gro 2012 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/cgBu.mdp 1519 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/cgBu.top 222 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/qsub.sh 1679 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/run_gmx.sh 146850 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/table_CH2_CH2.xvg 146949 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/table_CH3_CH2.xvg 147053 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/table_CH3_CH3.xvg 74591 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/table_a2.xvg 82376 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/table_b0.xvg 82395 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/table_b1.xvg 29922 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/table_d4.xvg 15431 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/start/table_index.ndx 37680 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/state.cpt 37680 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/state_prev.cpt 146850 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/table_CH2_CH2.xvg 146949 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/table_CH3_CH2.xvg 147053 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/table_CH3_CH3.xvg 74591 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/table_a2.xvg 82376 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/table_b0.xvg 82395 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar18.2010/table_b1.xvg 29922 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/table_d4.xvg 15431 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/table_index.ndx 0 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/ 7321 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/angle.f.dat 6926 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/bond.CH2-CH2.f.dat 6884 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/bond.CH3-CH2.f.dat 12000 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/dihedral.f.dat 0 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/potentials/ 139170 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/potentials/bond-potentials-Butane-5000frames-cgff.agr 61224 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/potentials/nb-potentials-Butane-5000frames-cgff.agr 10084 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/potentials/potential.dihedral.dat 16844 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/potentials/potential.nb.CH2-CH2.dat 16706 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/potentials/potential.nb.CH3-CH2.dat 16706 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/potentials/potential.nb.CH3-CH3.dat 25464 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/potentials/potential.quartic.angle.dat 31669 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/potentials/potential.quartic.bond.CH2-CH2.dat 31656 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/potentials/potential.quartic.bond.CH3-CH2.dat 891 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/run.make_gmx4_table.sh 16250 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/smooth-f.CH2-CH2.dat 16214 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/smooth-f.CH3-CH2.dat 16297 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/smooth-f.CH3-CH3.dat 146850 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/table_CH2_CH2.xvg 146949 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/table_CH3_CH2.xvg 147053 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/table_CH3_CH3.xvg 74591 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/table_a2.xvg 82376 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/table_b0.xvg 82395 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/table_b1.xvg 29922 05-04-2012 14:07 butane-ref/CG-sim/CG-sim.Mar18.2010/tables/table_d4.xvg 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/ 6118 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/#mdrun.log.1# 70 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/ABOUT 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/ 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/angles/ 6287 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/angles/angle.log 19276 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/angles/angle.ndx 249 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/angles/angle.sh 1350 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/angles/angle.xvg 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/bonds/ 4919 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/bonds/CH2_CH2.log 10993 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/bonds/CH2_CH2.xvg 4931 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/bonds/CH3_CH2.log 11410 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/bonds/CH3_CH2.xvg 11577 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/bonds/bond.ndx 465 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/bonds/bond.sh 95487 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/bonds/dist.CH2_CH2.xvg 95461 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/bonds/dist.CH3_CH2.xvg 103648 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/cgBu-bond-dist.agr 135720 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/cgBu-rdfs.agr 104920 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/cgBu.gro 44524 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/cgBu.tpr 274200000 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/cgBu.trr 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/dihedrals/ 6309 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/dihedrals/dihedral.log 7715 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/dihedrals/dihedral.ndx 287 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/dihedrals/dihedral.sh 9027 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/dihedrals/dihedral.xvg 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/rdfs/ 23140 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/rdfs/cgBu.ndx 3020 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/rdfs/ndx.log 673 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/rdfs/rdf.sh 6088 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/rdfs/rdfCH2-CH2.log 21927 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/rdfs/rdfCH2-CH2.xvg 6090 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/rdfs/rdfCH3-CH2.log 21939 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/rdfs/rdfCH3-CH2.xvg 6066 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/rdfs/rdfCH3-CH3.log 21913 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/analysis/rdfs/rdfCH3-CH3.xvg 192 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/cg-butane.o1033909 4129352 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/cgBu.edr 104920 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/cgBu.gro 2018 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/cgBu.mdp 26513 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/cgBu.prod.log 1519 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/cgBu.top 44524 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/cgBu.tpr 329094840 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/cgBu.trr 104920 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/confout.gro 924897 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/energy.xvg 4000 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/grompp.log 9907 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/mdout-cgBu.mdp 2967109 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/mdrun.log 222 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/qsub.sh 366 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/reduce_frames.sh 1679 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/run_gmx.sh 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/ 104920 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/cgBu.gro 2005 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/cgBu.mdp 1519 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/cgBu.top 145737 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/table_CH2_CH2.xvg 146128 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/table_CH3_CH2.xvg 146112 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/table_CH3_CH3.xvg 74594 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/table_a2.xvg 124418 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/table_b0.xvg 124437 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/table_b1.xvg 149442 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/table_d4.xvg 15431 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/start-files/table_index.ndx 37680 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/state.cpt 37680 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/state_prev.cpt 145737 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/table_CH2_CH2.xvg 146128 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/table_CH3_CH2.xvg 146112 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/table_CH3_CH3.xvg 74594 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/table_a2.xvg 124418 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/table_b0.xvg 124437 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/table_b1.xvg 149442 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/table_d4.xvg 15431 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/table_index.ndx 0 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/ 34926 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/CH2-CH2-BondStretch-f-total.forces.dat 8128 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/CH2-CH2-NB_PairInter-f-total.forces.dat 34905 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/CH3-CH2-BondStretch-f-total.forces.dat 8055 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/CH3-CH2-CH2-Angle-f-total.forces.dat 62446 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/CH3-CH2-CH2-CH3-Dihedral-f-total.forces.dat 6887 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/CH3-CH2-NB_PairInter-f-total.forces.dat 7012 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/CH3-CH3-NB_PairInter-f-total.forces.dat 1042 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/run.make_gmx4_table.sh 145737 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/table_CH2_CH2.xvg 146128 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/table_CH3_CH2.xvg 146112 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/table_CH3_CH3.xvg 74594 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/table_a2.xvg 124418 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/table_b0.xvg 124437 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/table_b1.xvg 149442 05-04-2012 14:08 butane-ref/CG-sim/CG-sim.Mar21.2010/tables/table_d4.xvg 0 05-04-2012 14:10 butane-ref/CGFF/ 503 05-04-2012 14:10 butane-ref/CGFF/ABOUT 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/L/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/L/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/L/total/CH2-CH2-BondStretch-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/L/total/CH2-CH2-NB_PairInter-L-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/L/total/CH3-CH2-BondStretch-L-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/L/total/CH3-CH2-CH2-Angle-L-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/L/total/CH3-CH2-CH2-CH3-Dihedral-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/L/total/CH3-CH2-NB_PairInter-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/L/total/CH3-CH3-NB_PairInter-L-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/forces/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/forces/total/CH2-CH2-BondStretch-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/forces/total/CH2-CH2-NB_PairInter-b-total.forces.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/forces/total/CH3-CH2-BondStretch-b-total.forces.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/forces/total/CH3-CH2-CH2-Angle-b-total.forces.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/forces/total/CH3-CH2-CH2-CH3-Dihedral-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/forces/total/CH3-CH2-NB_PairInter-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/forces/total/CH3-CH3-NB_PairInter-b-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/struct/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/struct/total/CH2-CH2-BondStretch-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/struct/total/CH2-CH2-NB_PairInter-b-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/struct/total/CH3-CH2-BondStretch-b-total.struct.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/struct/total/CH3-CH2-CH2-Angle-b-total.struct.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/struct/total/CH3-CH2-CH2-CH3-Dihedral-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/struct/total/CH3-CH2-NB_PairInter-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/b/struct/total/CH3-CH3-NB_PairInter-b-total.struct.dat 314204 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/cgBu.tpr 21282 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/cgff-Bu.o1025689 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/ 52544 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/cgff-butane-272K-5000frames-bond-inter.agr 42778 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/cgff-butane-272K-5000frames-nb-inter.agr 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/forces/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/forces/total/CH2-CH2-BondStretch-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/forces/total/CH2-CH2-NB_PairInter-f-total.forces.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/forces/total/CH3-CH2-BondStretch-f-total.forces.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/forces/total/CH3-CH2-CH2-Angle-f-total.forces.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/forces/total/CH3-CH2-CH2-CH3-Dihedral-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/forces/total/CH3-CH2-NB_PairInter-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/forces/total/CH3-CH3-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/forces/total/temp/ 8711 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/forces/total/temp/CH3-CH2-CH2-CH3-Dihedral-f-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/struct/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/struct/total/CH2-CH2-BondStretch-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/struct/total/CH2-CH2-NB_PairInter-f-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/struct/total/CH3-CH2-BondStretch-f-total.struct.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/struct/total/CH3-CH2-CH2-Angle-f-total.struct.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/struct/total/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/struct/total/CH3-CH2-NB_PairInter-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/forces/struct/total/CH3-CH3-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g/total/CH2-CH2-BondStretch-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g/total/CH2-CH2-NB_PairInter-g-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g/total/CH3-CH2-BondStretch-g-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g/total/CH3-CH2-CH2-Angle-g-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g/total/CH3-CH2-CH2-CH3-Dihedral-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g/total/CH3-CH2-NB_PairInter-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g/total/CH3-CH3-NB_PairInter-g-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g_cnt/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g_cnt/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g_cnt/total/CH2-CH2-BondStretch-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g_cnt/total/CH2-CH2-NB_PairInter-g_cnt-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g_cnt/total/CH3-CH2-BondStretch-g_cnt-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g_cnt/total/CH3-CH2-CH2-Angle-g_cnt-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g_cnt/total/CH3-CH2-CH2-CH3-Dihedral-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g_cnt/total/CH3-CH2-NB_PairInter-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/g_cnt/total/CH3-CH3-NB_PairInter-g_cnt-total.dat 70 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/inp.txt 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/log/ 88040 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/log/log.txt 149 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/log/log_global.txt 3037 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/log/log_proc0.txt 3037 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/log/log_proc1.txt 3037 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/log/log_proc2.txt 3037 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/log/log_proc3.txt 3037 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/log/log_proc4.txt 3037 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/log/log_proc5.txt 3037 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/log/log_proc6.txt 3037 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/log/log_proc7.txt 1678 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/out.txt 1274 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/par.txt 278 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/qsub.sh 712 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar17.2010/sort.sh 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/L/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/L/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/L/total/CH2-CH2-BondStretch-L-total.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/L/total/CH2-CH2-NB_PairInter-L-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/L/total/CH3-CH2-BondStretch-L-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/L/total/CH3-CH2-CH2-Angle-L-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/L/total/CH3-CH2-CH2-CH3-Dihedral-L-total.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/L/total/CH3-CH2-NB_PairInter-L-total.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/L/total/CH3-CH3-NB_PairInter-L-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/forces/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/forces/total/CH2-CH2-BondStretch-b-total.forces.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/forces/total/CH2-CH2-NB_PairInter-b-total.forces.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/forces/total/CH3-CH2-BondStretch-b-total.forces.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/forces/total/CH3-CH2-CH2-Angle-b-total.forces.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/forces/total/CH3-CH2-CH2-CH3-Dihedral-b-total.forces.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/forces/total/CH3-CH2-NB_PairInter-b-total.forces.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/forces/total/CH3-CH3-NB_PairInter-b-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/struct/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/struct/total/CH2-CH2-BondStretch-b-total.struct.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/struct/total/CH2-CH2-NB_PairInter-b-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/struct/total/CH3-CH2-BondStretch-b-total.struct.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/struct/total/CH3-CH2-CH2-Angle-b-total.struct.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/struct/total/CH3-CH2-CH2-CH3-Dihedral-b-total.struct.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/struct/total/CH3-CH2-NB_PairInter-b-total.struct.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/b/struct/total/CH3-CH3-NB_PairInter-b-total.struct.dat 314204 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/cgBu.tpr 21282 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/cgff-Bu.o1044840 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/forces/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/forces/total/CH2-CH2-BondStretch-f-total.forces.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/forces/total/CH2-CH2-NB_PairInter-f-total.forces.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/forces/total/CH3-CH2-BondStretch-f-total.forces.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/forces/total/CH3-CH2-CH2-Angle-f-total.forces.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/forces/total/CH3-CH2-CH2-CH3-Dihedral-f-total.forces.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/forces/total/CH3-CH2-NB_PairInter-f-total.forces.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/forces/total/CH3-CH3-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/struct/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/struct/total/CH2-CH2-BondStretch-f-total.struct.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/struct/total/CH2-CH2-NB_PairInter-f-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/struct/total/CH3-CH2-BondStretch-f-total.struct.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/struct/total/CH3-CH2-CH2-Angle-f-total.struct.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/struct/total/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/struct/total/CH3-CH2-NB_PairInter-f-total.struct.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/forces/struct/total/CH3-CH3-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g/total/CH2-CH2-BondStretch-g-total.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g/total/CH2-CH2-NB_PairInter-g-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g/total/CH3-CH2-BondStretch-g-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g/total/CH3-CH2-CH2-Angle-g-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g/total/CH3-CH2-CH2-CH3-Dihedral-g-total.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g/total/CH3-CH2-NB_PairInter-g-total.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g/total/CH3-CH3-NB_PairInter-g-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g_cnt/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g_cnt/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g_cnt/total/CH2-CH2-BondStretch-g_cnt-total.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g_cnt/total/CH2-CH2-NB_PairInter-g_cnt-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g_cnt/total/CH3-CH2-BondStretch-g_cnt-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g_cnt/total/CH3-CH2-CH2-Angle-g_cnt-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g_cnt/total/CH3-CH2-CH2-CH3-Dihedral-g_cnt-total.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g_cnt/total/CH3-CH2-NB_PairInter-g_cnt-total.dat 21731 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/g_cnt/total/CH3-CH3-NB_PairInter-g_cnt-total.dat 70 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/inp.txt 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/log/ 186918 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/log/log.txt 149 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/log/log_global.txt 3042 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/log/log_proc0.txt 3042 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/log/log_proc1.txt 3042 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/log/log_proc2.txt 3042 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/log/log_proc3.txt 3042 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/log/log_proc4.txt 3042 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/log/log_proc5.txt 3042 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/log/log_proc6.txt 3042 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/log/log_proc7.txt 1682 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/out.txt 1274 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/par.txt 278 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/qsub.sh 712 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar24.2010/sort.sh 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/L/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/L/total/ 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/L/total/CH2-CH2-NB_PairInter-L-total.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/L/total/CH3-CH2-NB_PairInter-L-total.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/L/total/CH3-CH3-NB_PairInter-L-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/b/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/b/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/b/forces/total/ 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/b/forces/total/CH2-CH2-NB_PairInter-b-total.forces.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/b/forces/total/CH3-CH2-NB_PairInter-b-total.forces.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/b/forces/total/CH3-CH3-NB_PairInter-b-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/b/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/b/struct/total/ 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/b/struct/total/CH2-CH2-NB_PairInter-b-total.struct.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/b/struct/total/CH3-CH2-NB_PairInter-b-total.struct.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/b/struct/total/CH3-CH3-NB_PairInter-b-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/bond-forces/ 32478 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/bond-forces/f-angle.dat 5965 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/bond-forces/f-bond-CH2-CH2.dat 5963 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/bond-forces/f-bond-CH3-CH2.dat 106229 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/bond-forces/f-dihedral.dat 31929 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/bond-forces/p-angle.dat 5829 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/bond-forces/p-bond-CH2-CH2.dat 5829 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/bond-forces/p-bond-CH3-CH2.dat 106229 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/bond-forces/p-dihedral.dat 1176 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/bond-forces/run.sh 314204 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/cgBu.tpr 42544 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/cgff-Bu.o1053867 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/forces/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/forces/forces/total/ 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/forces/forces/total/CH2-CH2-NB_PairInter-f-total.forces.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/forces/forces/total/CH3-CH2-NB_PairInter-f-total.forces.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/forces/forces/total/CH3-CH3-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/forces/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/forces/struct/total/ 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/forces/struct/total/CH2-CH2-NB_PairInter-f-total.struct.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/forces/struct/total/CH3-CH2-NB_PairInter-f-total.struct.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/forces/struct/total/CH3-CH3-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/g/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/g/total/ 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/g/total/CH2-CH2-NB_PairInter-g-total.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/g/total/CH3-CH2-NB_PairInter-g-total.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/g/total/CH3-CH3-NB_PairInter-g-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/g_cnt/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/g_cnt/total/ 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/g_cnt/total/CH2-CH2-NB_PairInter-g_cnt-total.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/g_cnt/total/CH3-CH2-NB_PairInter-g_cnt-total.dat 10881 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/g_cnt/total/CH3-CH3-NB_PairInter-g_cnt-total.dat 70 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/inp.txt 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/ 74381 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log.txt 149 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_global.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc0.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc1.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc10.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc11.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc12.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc13.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc14.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc15.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc2.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc3.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc4.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc5.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc6.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc7.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc8.txt 2631 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/log/log_proc9.txt 2885 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/out.txt 1136 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/par.txt 278 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/qsub.sh 712 05-04-2012 14:10 butane-ref/CGFF/CGFF-Mar25.2010/sort.sh 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/ 69368 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/cgff-butane-272K-5000frames-harmonic-bond-ref-calc.agr 69319 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/cgff-butane-272K-5000frames-quartic-bond-ref-calc.agr 83755 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/cgff-butane-272K-5000frames-smooth-nb-ref-calc.agr 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ 76328 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cgff-butane-272K-5000frames-harmonic-bond-inter.agr 76632 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cgff-butane-272K-5000frames-quartic-bond-inter.agr 82535 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cgff-butane-272K-nb-smooth-inter-ref.agr 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cut-forces/ 5580 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cut-forces/CH2-CH2-NB_PairInter-f-total.struct.dat 5611 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cut-forces/CH3-CH2-NB_PairInter-f-total.struct.dat 5673 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cut-forces/CH3-CH3-NB_PairInter-f-total.struct.dat 1081 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cut-forces/angle.CH3-CH2-CH2.f.dat 620 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cut-forces/bond.CH2-CH2.f.dat 744 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cut-forces/bond.CH3-CH2.f.dat 7106 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cut-forces/dihedral.CH3-CH2-CH2-CH3.f.dat 519 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/cut-forces/dihedral.txt 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/nb-smooth-forces/ 7191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/nb-smooth-forces/nb.f.CH2-CH2.dat 7201 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/nb-smooth-forces/nb.f.CH3-CH2.dat 7372 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/nb-smooth-forces/nb.f.CH3-CH3.dat 398 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/nb-smooth-forces/run.make_gmx4_table.sh 16250 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/nb-smooth-forces/smooth-f.CH2-CH2.dat 16214 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/nb-smooth-forces/smooth-f.CH3-CH2.dat 16297 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/nb-smooth-forces/smooth-f.CH3-CH3.dat 145942 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/nb-smooth-forces/table_CH2_CH2.xvg 146043 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/nb-smooth-forces/table_CH3_CH2.xvg 146149 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/nb-smooth-forces/table_CH3_CH3.xvg 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/original-forces/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/original-forces/CH2-CH2-BondStretch-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/original-forces/CH2-CH2-NB_PairInter-f-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/original-forces/CH3-CH2-BondStretch-f-total.struct.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/original-forces/CH3-CH2-CH2-Angle-f-total.struct.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/original-forces/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/original-forces/CH3-CH2-NB_PairInter-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/original-forces/CH3-CH3-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/harmonic-bond/ 6782 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/harmonic-bond/bond.CH2-CH2.f.dat 6758 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/harmonic-bond/bond.CH3-CH2.f.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/harmonic-bond/equal-angle-spacing/ 9027 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/harmonic-bond/equal-angle-spacing/angle.f.dat 9149 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/harmonic-bond/equal-angle-spacing/angle.f.deg.dat 11461 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/harmonic-bond/equal-angle-spacing/dihedral.f.dat 11317 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/harmonic-bond/equal-angle-spacing/dihedral.f.deg.dat 595 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/harmonic-bond/equal-angle-spacing/prepare_angle_files.sh 13079 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/harmonic-bond/ref.angle.f.rad.dat 15960 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/harmonic-bond/ref.dihedral.f.rad.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/ 6926 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/bond.CH2-CH2.f.dat 6884 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/bond.CH3-CH2.f.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/equal-angle-spacing/ 9047 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/equal-angle-spacing/angle.f.dat 9169 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/equal-angle-spacing/angle.f.deg.dat 11317 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/equal-angle-spacing/dihedral.f.deg.dat 595 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/equal-angle-spacing/prepare_angle_files.sh 7321 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/equal-angle-spacing/ref-f.angle.deg.correct.dat 12000 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/equal-angle-spacing/ref-f.dihedral.deg.correct.dat 13079 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/equal-angle-spacing/ref.angle.f.rad.dat 15960 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/equal-angle-spacing/ref.dihedral.f.rad.dat 13079 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/ref.angle.f.rad.dat 15960 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/quartic-potential/ref.dihedral.f.rad.dat 16250 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/smooth-f.CH2-CH2.dat 16214 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/smooth-f.CH3-CH2.dat 16297 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/create-ref-force-files/ref-forces/smooth-f.CH3-CH3.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/L/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/L/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/L/total/CH2-CH2-BondStretch-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/L/total/CH2-CH2-NB_PairInter-L-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/L/total/CH3-CH2-BondStretch-L-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/L/total/CH3-CH2-CH2-Angle-L-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/L/total/CH3-CH2-CH2-CH3-Dihedral-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/L/total/CH3-CH2-NB_PairInter-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/L/total/CH3-CH3-NB_PairInter-L-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/forces/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/forces/total/CH2-CH2-BondStretch-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/forces/total/CH2-CH2-NB_PairInter-b-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/forces/total/CH3-CH2-BondStretch-b-total.forces.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/forces/total/CH3-CH2-CH2-Angle-b-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/forces/total/CH3-CH2-CH2-CH3-Dihedral-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/forces/total/CH3-CH2-NB_PairInter-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/forces/total/CH3-CH3-NB_PairInter-b-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/struct/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/struct/total/CH2-CH2-BondStretch-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/struct/total/CH2-CH2-NB_PairInter-b-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/struct/total/CH3-CH2-BondStretch-b-total.struct.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/struct/total/CH3-CH2-CH2-Angle-b-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/struct/total/CH3-CH2-CH2-CH3-Dihedral-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/struct/total/CH3-CH2-NB_PairInter-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/b/struct/total/CH3-CH3-NB_PairInter-b-total.struct.dat 314204 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/cgBu.tpr 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/forces/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/forces/total/CH2-CH2-BondStretch-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/forces/total/CH2-CH2-NB_PairInter-f-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/forces/total/CH3-CH2-BondStretch-f-total.forces.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/forces/total/CH3-CH2-CH2-Angle-f-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/forces/total/CH3-CH2-CH2-CH3-Dihedral-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/forces/total/CH3-CH2-NB_PairInter-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/forces/total/CH3-CH3-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/struct/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/struct/total/CH2-CH2-BondStretch-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/struct/total/CH2-CH2-NB_PairInter-f-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/struct/total/CH3-CH2-BondStretch-f-total.struct.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/struct/total/CH3-CH2-CH2-Angle-f-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/struct/total/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/struct/total/CH3-CH2-NB_PairInter-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/forces/struct/total/CH3-CH3-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g/total/CH2-CH2-BondStretch-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g/total/CH2-CH2-NB_PairInter-g-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g/total/CH3-CH2-BondStretch-g-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g/total/CH3-CH2-CH2-Angle-g-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g/total/CH3-CH2-CH2-CH3-Dihedral-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g/total/CH3-CH2-NB_PairInter-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g/total/CH3-CH3-NB_PairInter-g-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g_cnt/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g_cnt/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g_cnt/total/CH2-CH2-BondStretch-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g_cnt/total/CH2-CH2-NB_PairInter-g_cnt-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g_cnt/total/CH3-CH2-BondStretch-g_cnt-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g_cnt/total/CH3-CH2-CH2-Angle-g_cnt-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g_cnt/total/CH3-CH2-CH2-CH3-Dihedral-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g_cnt/total/CH3-CH2-NB_PairInter-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/g_cnt/total/CH3-CH3-NB_PairInter-g_cnt-total.dat 70 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/inp.txt 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/log/ 64246 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/log/log.txt 149 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/log/log_global.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/log/log_proc0.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/log/log_proc1.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/log/log_proc2.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/log/log_proc3.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/log/log_proc4.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/log/log_proc5.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/log/log_proc6.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/log/log_proc7.txt 1673 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/out.txt 1308 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/par.txt 288 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/qsub.sh 21282 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/ref-bond-harmonic.o1026033 13079 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/ref.angle.f.rad.dat 6782 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/ref.bond.CH2-CH2.f.dat 6758 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/ref.bond.CH3-CH2.f.dat 15960 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/ref.dihedral.f.rad.dat 398 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/ref.txt 712 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/harmonic-bond-ref/sort.sh 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/L/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/L/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/L/total/CH2-CH2-BondStretch-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/L/total/CH2-CH2-NB_PairInter-L-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/L/total/CH3-CH2-BondStretch-L-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/L/total/CH3-CH2-CH2-Angle-L-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/L/total/CH3-CH2-CH2-CH3-Dihedral-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/L/total/CH3-CH2-NB_PairInter-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/L/total/CH3-CH3-NB_PairInter-L-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/forces/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/forces/total/CH2-CH2-BondStretch-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/forces/total/CH2-CH2-NB_PairInter-b-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/forces/total/CH3-CH2-BondStretch-b-total.forces.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/forces/total/CH3-CH2-CH2-Angle-b-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/forces/total/CH3-CH2-CH2-CH3-Dihedral-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/forces/total/CH3-CH2-NB_PairInter-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/forces/total/CH3-CH3-NB_PairInter-b-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/struct/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/struct/total/CH2-CH2-BondStretch-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/struct/total/CH2-CH2-NB_PairInter-b-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/struct/total/CH3-CH2-BondStretch-b-total.struct.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/struct/total/CH3-CH2-CH2-Angle-b-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/struct/total/CH3-CH2-CH2-CH3-Dihedral-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/struct/total/CH3-CH2-NB_PairInter-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/b/struct/total/CH3-CH3-NB_PairInter-b-total.struct.dat 314204 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/cgBu.tpr 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/forces/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/forces/total/CH2-CH2-BondStretch-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/forces/total/CH2-CH2-NB_PairInter-f-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/forces/total/CH3-CH2-BondStretch-f-total.forces.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/forces/total/CH3-CH2-CH2-Angle-f-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/forces/total/CH3-CH2-CH2-CH3-Dihedral-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/forces/total/CH3-CH2-NB_PairInter-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/forces/total/CH3-CH3-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/struct/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/struct/total/CH2-CH2-BondStretch-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/struct/total/CH2-CH2-NB_PairInter-f-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/struct/total/CH3-CH2-BondStretch-f-total.struct.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/struct/total/CH3-CH2-CH2-Angle-f-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/struct/total/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/struct/total/CH3-CH2-NB_PairInter-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/forces/struct/total/CH3-CH3-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g/total/CH2-CH2-BondStretch-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g/total/CH2-CH2-NB_PairInter-g-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g/total/CH3-CH2-BondStretch-g-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g/total/CH3-CH2-CH2-Angle-g-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g/total/CH3-CH2-CH2-CH3-Dihedral-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g/total/CH3-CH2-NB_PairInter-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g/total/CH3-CH3-NB_PairInter-g-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g_cnt/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g_cnt/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g_cnt/total/CH2-CH2-BondStretch-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g_cnt/total/CH2-CH2-NB_PairInter-g_cnt-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g_cnt/total/CH3-CH2-BondStretch-g_cnt-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g_cnt/total/CH3-CH2-CH2-Angle-g_cnt-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g_cnt/total/CH3-CH2-CH2-CH3-Dihedral-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g_cnt/total/CH3-CH2-NB_PairInter-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/g_cnt/total/CH3-CH3-NB_PairInter-g_cnt-total.dat 70 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/inp.txt 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/log/ 64246 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/log/log.txt 149 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/log/log_global.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/log/log_proc0.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/log/log_proc1.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/log/log_proc2.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/log/log_proc3.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/log/log_proc4.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/log/log_proc5.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/log/log_proc6.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/log/log_proc7.txt 1673 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/out.txt 1308 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/par.txt 285 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/qsub.sh 21282 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/ref-bond-quart.o1026034 13079 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/ref.angle.f.rad.dat 6926 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/ref.bond.CH2-CH2.f.dat 6884 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/ref.bond.CH3-CH2.f.dat 15960 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/ref.dihedral.f.rad.dat 398 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/ref.txt 712 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/quartic-bond-ref/sort.sh 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/L/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/L/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/L/total/CH2-CH2-BondStretch-L-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/L/total/CH3-CH2-BondStretch-L-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/L/total/CH3-CH2-CH2-Angle-L-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/L/total/CH3-CH2-CH2-CH3-Dihedral-L-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/forces/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/forces/total/CH2-CH2-BondStretch-b-total.forces.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/forces/total/CH3-CH2-BondStretch-b-total.forces.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/forces/total/CH3-CH2-CH2-Angle-b-total.forces.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/forces/total/CH3-CH2-CH2-CH3-Dihedral-b-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/struct/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/struct/total/CH2-CH2-BondStretch-b-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/struct/total/CH3-CH2-BondStretch-b-total.struct.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/struct/total/CH3-CH2-CH2-Angle-b-total.struct.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/b/struct/total/CH3-CH2-CH2-CH3-Dihedral-b-total.struct.dat 314204 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/cgBu.tpr 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/forces/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/forces/total/CH2-CH2-BondStretch-f-total.forces.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/forces/total/CH3-CH2-BondStretch-f-total.forces.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/forces/total/CH3-CH2-CH2-Angle-f-total.forces.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/forces/total/CH3-CH2-CH2-CH3-Dihedral-f-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/struct/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/struct/total/CH2-CH2-BondStretch-f-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/struct/total/CH3-CH2-BondStretch-f-total.struct.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/struct/total/CH3-CH2-CH2-Angle-f-total.struct.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/forces/struct/total/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g/total/CH2-CH2-BondStretch-g-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g/total/CH3-CH2-BondStretch-g-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g/total/CH3-CH2-CH2-Angle-g-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g/total/CH3-CH2-CH2-CH3-Dihedral-g-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g_cnt/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g_cnt/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g_cnt/total/CH2-CH2-BondStretch-g_cnt-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g_cnt/total/CH3-CH2-BondStretch-g_cnt-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g_cnt/total/CH3-CH2-CH2-Angle-g_cnt-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/g_cnt/total/CH3-CH2-CH2-CH3-Dihedral-g_cnt-total.dat 70 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/inp.txt 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/log/ 51524 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/log/log.txt 53 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/log/log_global.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/log/log_proc0.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/log/log_proc1.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/log/log_proc2.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/log/log_proc3.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/log/log_proc4.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/log/log_proc5.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/log/log_proc6.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/log/log_proc7.txt 1374 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/out.txt 1313 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/par.txt 284 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/qsub.sh 21282 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/ref-nb-smooth.o1026031 16250 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/ref.nb.CH2-CH2.f.dat 16214 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/ref.nb.CH3-CH2.f.dat 16297 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/ref.nb.CH3-CH3.f.dat 228 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/ref.txt 712 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-fit.Mar18.2010/smooth-nb-ref/sort.sh 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/L/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/L/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/L/total/CH2-CH2-BondStretch-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/L/total/CH2-CH2-NB_PairInter-L-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/L/total/CH3-CH2-BondStretch-L-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/L/total/CH3-CH2-CH2-Angle-L-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/L/total/CH3-CH2-CH2-CH3-Dihedral-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/L/total/CH3-CH2-NB_PairInter-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/L/total/CH3-CH3-NB_PairInter-L-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/forces/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/forces/total/CH2-CH2-BondStretch-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/forces/total/CH2-CH2-NB_PairInter-b-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/forces/total/CH3-CH2-BondStretch-b-total.forces.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/forces/total/CH3-CH2-CH2-Angle-b-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/forces/total/CH3-CH2-CH2-CH3-Dihedral-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/forces/total/CH3-CH2-NB_PairInter-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/forces/total/CH3-CH3-NB_PairInter-b-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/struct/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/struct/total/CH2-CH2-BondStretch-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/struct/total/CH2-CH2-NB_PairInter-b-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/struct/total/CH3-CH2-BondStretch-b-total.struct.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/struct/total/CH3-CH2-CH2-Angle-b-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/struct/total/CH3-CH2-CH2-CH3-Dihedral-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/struct/total/CH3-CH2-NB_PairInter-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/b/struct/total/CH3-CH3-NB_PairInter-b-total.struct.dat 314204 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/cgBu.tpr 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/forces/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/forces/total/CH2-CH2-BondStretch-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/forces/total/CH2-CH2-NB_PairInter-f-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/forces/total/CH3-CH2-BondStretch-f-total.forces.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/forces/total/CH3-CH2-CH2-Angle-f-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/forces/total/CH3-CH2-CH2-CH3-Dihedral-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/forces/total/CH3-CH2-NB_PairInter-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/forces/total/CH3-CH3-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/struct/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/struct/total/CH2-CH2-BondStretch-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/struct/total/CH2-CH2-NB_PairInter-f-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/struct/total/CH3-CH2-BondStretch-f-total.struct.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/struct/total/CH3-CH2-CH2-Angle-f-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/struct/total/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/struct/total/CH3-CH2-NB_PairInter-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/forces/struct/total/CH3-CH3-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g/total/CH2-CH2-BondStretch-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g/total/CH2-CH2-NB_PairInter-g-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g/total/CH3-CH2-BondStretch-g-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g/total/CH3-CH2-CH2-Angle-g-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g/total/CH3-CH2-CH2-CH3-Dihedral-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g/total/CH3-CH2-NB_PairInter-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g/total/CH3-CH3-NB_PairInter-g-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g_cnt/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g_cnt/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g_cnt/total/CH2-CH2-BondStretch-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g_cnt/total/CH2-CH2-NB_PairInter-g_cnt-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g_cnt/total/CH3-CH2-BondStretch-g_cnt-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g_cnt/total/CH3-CH2-CH2-Angle-g_cnt-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g_cnt/total/CH3-CH2-CH2-CH3-Dihedral-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g_cnt/total/CH3-CH2-NB_PairInter-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/g_cnt/total/CH3-CH3-NB_PairInter-g_cnt-total.dat 70 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/inp.txt 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/log/ 64246 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/log/log.txt 149 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/log/log_global.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/log/log_proc0.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/log/log_proc1.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/log/log_proc2.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/log/log_proc3.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/log/log_proc4.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/log/log_proc5.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/log/log_proc6.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/log/log_proc7.txt 1673 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/out.txt 1308 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/par.txt 279 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/qsub.sh 21282 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/ref-bond.o1025988 2639 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/ref.angle.f.rad.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/ref.bond.CH2-CH2.f.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/ref.bond.CH3-CH2.f.dat 10649 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/ref.dihedral.f.rad.dat 398 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/ref.txt 712 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/bond-ref/sort.sh 69274 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/cgff-butane-272K-5000frames-bond-ref-calc.agr 83730 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/cgff-butane-272K-5000frames-nb-ref-calc.agr 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/L/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/L/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/L/total/CH2-CH2-BondStretch-L-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/L/total/CH3-CH2-BondStretch-L-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/L/total/CH3-CH2-CH2-Angle-L-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/L/total/CH3-CH2-CH2-CH3-Dihedral-L-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/forces/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/forces/total/CH2-CH2-BondStretch-b-total.forces.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/forces/total/CH3-CH2-BondStretch-b-total.forces.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/forces/total/CH3-CH2-CH2-Angle-b-total.forces.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/forces/total/CH3-CH2-CH2-CH3-Dihedral-b-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/struct/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/struct/total/CH2-CH2-BondStretch-b-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/struct/total/CH3-CH2-BondStretch-b-total.struct.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/struct/total/CH3-CH2-CH2-Angle-b-total.struct.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/b/struct/total/CH3-CH2-CH2-CH3-Dihedral-b-total.struct.dat 314204 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/cgBu.tpr 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/forces/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/forces/total/CH2-CH2-BondStretch-f-total.forces.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/forces/total/CH3-CH2-BondStretch-f-total.forces.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/forces/total/CH3-CH2-CH2-Angle-f-total.forces.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/forces/total/CH3-CH2-CH2-CH3-Dihedral-f-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/struct/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/struct/total/CH2-CH2-BondStretch-f-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/struct/total/CH3-CH2-BondStretch-f-total.struct.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/struct/total/CH3-CH2-CH2-Angle-f-total.struct.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/forces/struct/total/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g/total/CH2-CH2-BondStretch-g-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g/total/CH3-CH2-BondStretch-g-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g/total/CH3-CH2-CH2-Angle-g-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g/total/CH3-CH2-CH2-CH3-Dihedral-g-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g_cnt/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g_cnt/total/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g_cnt/total/CH2-CH2-BondStretch-g_cnt-total.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g_cnt/total/CH3-CH2-BondStretch-g_cnt-total.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g_cnt/total/CH3-CH2-CH2-Angle-g_cnt-total.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/g_cnt/total/CH3-CH2-CH2-CH3-Dihedral-g_cnt-total.dat 70 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/inp.txt 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/log/ 51524 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/log/log.txt 53 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/log/log_global.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/log/log_proc0.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/log/log_proc1.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/log/log_proc2.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/log/log_proc3.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/log/log_proc4.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/log/log_proc5.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/log/log_proc6.txt 3026 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/log/log_proc7.txt 1374 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/out.txt 1313 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/par.txt 277 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/qsub.sh 21282 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/ref-nb.o1025989 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/ref.nb.CH2-CH2.f.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/ref.nb.CH3-CH2.f.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/ref.nb.CH3-CH3.f.dat 228 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/ref.txt 712 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/nb-ref/sort.sh 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/original-forces/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/original-forces/CH2-CH2-BondStretch-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/original-forces/CH2-CH2-NB_PairInter-f-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/original-forces/CH3-CH2-BondStretch-f-total.struct.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/original-forces/CH3-CH2-CH2-Angle-f-total.struct.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/original-forces/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/original-forces/CH3-CH2-NB_PairInter-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/original-forces/CH3-CH3-NB_PairInter-f-total.struct.dat 601 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/prepare_angle_files.sh 2639 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/ref.angle.f.rad.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/ref.bond.CH2-CH2.f.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/ref.bond.CH3-CH2.f.dat 10649 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/ref.dihedral.f.rad.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/ref.nb.CH2-CH2.f.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/ref.nb.CH3-CH2.f.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-no-fit.Mar18.2010/ref-force-files/ref.nb.CH3-CH3.f.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/L/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/L/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/L/total/CH2-CH2-BondStretch-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/L/total/CH2-CH2-NB_PairInter-L-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/L/total/CH3-CH2-BondStretch-L-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/L/total/CH3-CH2-CH2-Angle-L-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/L/total/CH3-CH2-CH2-CH3-Dihedral-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/L/total/CH3-CH2-NB_PairInter-L-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/L/total/CH3-CH3-NB_PairInter-L-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/forces/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/forces/total/CH2-CH2-BondStretch-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/forces/total/CH2-CH2-NB_PairInter-b-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/forces/total/CH3-CH2-BondStretch-b-total.forces.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/forces/total/CH3-CH2-CH2-Angle-b-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/forces/total/CH3-CH2-CH2-CH3-Dihedral-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/forces/total/CH3-CH2-NB_PairInter-b-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/forces/total/CH3-CH3-NB_PairInter-b-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/struct/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/struct/total/CH2-CH2-BondStretch-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/struct/total/CH2-CH2-NB_PairInter-b-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/struct/total/CH3-CH2-BondStretch-b-total.struct.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/struct/total/CH3-CH2-CH2-Angle-b-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/struct/total/CH3-CH2-CH2-CH3-Dihedral-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/struct/total/CH3-CH2-NB_PairInter-b-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/b/struct/total/CH3-CH3-NB_PairInter-b-total.struct.dat 314204 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/cgBu.tpr 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/forces/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/forces/total/CH2-CH2-BondStretch-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/forces/total/CH2-CH2-NB_PairInter-f-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/forces/total/CH3-CH2-BondStretch-f-total.forces.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/forces/total/CH3-CH2-CH2-Angle-f-total.forces.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/forces/total/CH3-CH2-CH2-CH3-Dihedral-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/forces/total/CH3-CH2-NB_PairInter-f-total.forces.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/forces/total/CH3-CH3-NB_PairInter-f-total.forces.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/struct/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/struct/total/CH2-CH2-BondStretch-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/struct/total/CH2-CH2-NB_PairInter-f-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/struct/total/CH3-CH2-BondStretch-f-total.struct.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/struct/total/CH3-CH2-CH2-Angle-f-total.struct.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/struct/total/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/struct/total/CH3-CH2-NB_PairInter-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/forces/struct/total/CH3-CH3-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g/total/CH2-CH2-BondStretch-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g/total/CH2-CH2-NB_PairInter-g-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g/total/CH3-CH2-BondStretch-g-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g/total/CH3-CH2-CH2-Angle-g-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g/total/CH3-CH2-CH2-CH3-Dihedral-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g/total/CH3-CH2-NB_PairInter-g-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g/total/CH3-CH3-NB_PairInter-g-total.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g_cnt/ 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g_cnt/total/ 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g_cnt/total/CH2-CH2-BondStretch-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g_cnt/total/CH2-CH2-NB_PairInter-g_cnt-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g_cnt/total/CH3-CH2-BondStretch-g_cnt-total.dat 93 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g_cnt/total/CH3-CH2-CH2-Angle-g_cnt-total.dat 62 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g_cnt/total/CH3-CH2-CH2-CH3-Dihedral-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g_cnt/total/CH3-CH2-NB_PairInter-g_cnt-total.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/g_cnt/total/CH3-CH3-NB_PairInter-g_cnt-total.dat 70 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/inp.txt 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/log/ 64246 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/log/log.txt 149 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/log/log_global.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/log/log_proc0.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/log/log_proc1.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/log/log_proc2.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/log/log_proc3.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/log/log_proc4.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/log/log_proc5.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/log/log_proc6.txt 3033 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/log/log_proc7.txt 1673 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/out.txt 1308 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/par.txt 281 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/qsub.sh 21282 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/ref-butane.o1029404 1604 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/ref.angle.f.rad.dat 6892 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/ref.bond.CH2-CH2.f.dat 6875 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/ref.bond.CH3-CH2.f.dat 15960 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/ref.dihedral.f.rad.dat 398 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/ref.txt 712 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/CGFF/sort.sh 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/angle-rads/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/angle-rads/CH2-CH2-BondStretch-f-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/angle-rads/CH3-CH2-BondStretch-f-total.struct.dat 1657 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/angle-rads/CH3-CH2-CH2-Angle-f-total.struct.dat 7106 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/angle-rads/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 69316 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/cgff-butane-272K-5000frames-smooth-bond-ref-calc.agr 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/cut-zeros/ 961 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/cut-zeros/CH2-CH2-BondStretch-f-total.struct.dat 992 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/cut-zeros/CH3-CH2-BondStretch-f-total.struct.dat 1183 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/cut-zeros/CH3-CH2-CH2-Angle-f-total.struct.dat 7106 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/cut-zeros/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 1604 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/cut-zeros/smooth-f.angle.dat 6892 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/cut-zeros/smooth-f.bond.CH2-CH2.dat 6875 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/cut-zeros/smooth-f.bond.CH3-CH2.dat 0 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/original-files/ 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/original-files/CH2-CH2-BondStretch-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/original-files/CH2-CH2-NB_PairInter-f-total.struct.dat 1240 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/original-files/CH3-CH2-BondStretch-f-total.struct.dat 2821 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/original-files/CH3-CH2-CH2-Angle-f-total.struct.dat 11191 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/original-files/CH3-CH2-CH2-CH3-Dihedral-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/original-files/CH3-CH2-NB_PairInter-f-total.struct.dat 7471 05-04-2012 14:10 butane-ref/CGFF/CGFF-Ref-smooth-bond.Mar19.2010/original-files/CH3-CH3-NB_PairInter-f-total.struct.dat 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/ 2263 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/L.Angle.total.Angles.dat 992 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/L.BondStretch.total.BondM.dat 1054 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/L.BondStretch.total.BondT.dat 11036 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/L.Dihedral.total.Dihedrals.dat 8587 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/L.Pair_Interaction.total.CH2-CH2.dat 8649 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/L.Pair_Interaction.total.CH3-CH2.dat 8711 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/L.Pair_Interaction.total.CH3-CH3.dat 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/L/ 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/L/total/ 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b/ 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b/forces/total/ 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b/struct/total/ 2263 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_forces.Angle.total.Angles.dat 992 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_forces.BondStretch.total.BondM.dat 1054 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_forces.BondStretch.total.BondT.dat 11036 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_forces.Dihedral.total.Dihedrals.dat 8587 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_forces.Pair_Interaction.total.CH2-CH2.dat 8649 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_forces.Pair_Interaction.total.CH3-CH2.dat 8711 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_forces.Pair_Interaction.total.CH3-CH3.dat 2263 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_struct.Angle.total.Angles.dat 992 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_struct.BondStretch.total.BondM.dat 1054 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_struct.BondStretch.total.BondT.dat 11036 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_struct.Dihedral.total.Dihedrals.dat 8587 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_struct.Pair_Interaction.total.CH2-CH2.dat 8649 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_struct.Pair_Interaction.total.CH3-CH2.dat 8711 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/b_struct.Pair_Interaction.total.CH3-CH3.dat 314204 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/cgBu.tpr 39718 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/cgff-Bu.o1207166 4598 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/dg_dz.total.Angle.Angles.dat 2061 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/dg_dz.total.BondStretch.BondM.dat 2069 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/dg_dz.total.BondStretch.BondT.dat 18264 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/dg_dz.total.Dihedral.Dihedrals.dat 17718 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/dg_dz.total.Pair_Interaction.CH2-CH2.dat 17817 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/dg_dz.total.Pair_Interaction.CH3-CH2.dat 17714 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/dg_dz.total.Pair_Interaction.CH3-CH3.dat 2263 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_forces.Angle.total.Angles.dat 992 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_forces.BondStretch.total.BondM.dat 1054 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_forces.BondStretch.total.BondT.dat 11036 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_forces.Dihedral.total.Dihedrals.dat 8587 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_forces.Pair_Interaction.total.CH2-CH2.dat 8649 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_forces.Pair_Interaction.total.CH3-CH2.dat 8711 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_forces.Pair_Interaction.total.CH3-CH3.dat 2263 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_struct.Angle.total.Angles.dat 992 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_struct.BondStretch.total.BondM.dat 1054 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_struct.BondStretch.total.BondT.dat 11036 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_struct.Dihedral.total.Dihedrals.dat 8587 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_struct.Pair_Interaction.total.CH2-CH2.dat 8649 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_struct.Pair_Interaction.total.CH3-CH2.dat 8711 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/f_struct.Pair_Interaction.total.CH3-CH3.dat 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/forces/forces/ 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/forces/forces/total/ 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/forces/struct/ 0 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/forces/struct/total/ 2263 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/g.Angle.total.Angles.dat 992 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/g.BondStretch.total.BondM.dat 1054 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/g.BondStretch.total.BondT.dat 11036 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/g.Dihedral.total.Dihedrals.dat 8587 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/g.Pair_Interaction.total.CH2-CH2.dat 8649 05-04-2012 14:10 butane-ref/CGFF/June.2.2010/g.Pair_Interaction.total.CH3-CH2.dat 8711 05-04-2012 14:10 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