Will try to add 0 NA ions and 8 CL ions. Select a continuous group of solvent molecules Group 0 ( System) has 33892 elements Group 1 ( Protein) has 1960 elements Group 2 ( Protein-H) has 1001 elements Group 3 ( C-alpha) has 129 elements Group 4 ( Backbone) has 387 elements Group...
Will try to add 0 NA ions and 6 CL ions. Select a continuous group of solvent molecules Group 0 ( System) has 33518 elements Group 1 ( Protein) has 2614 elements Group 2 ( Protein-H) has 1301 elements Group 3 ( C-alpha) has 163 elements Group 4 ( Backbone) has 489 elements Group...
Selecta continuousgroupofsolvent molecules Group0(System) has33892elements Group1( Protein) has1960elements Group2( Protein-H) has1001elements Group3( C-alpha) has129elements Group4( Backbone) has387elements Group5( MainChain) has517elements Group6( MainChain+Cb) has634elements Group7( MainChain+H...
Group 1 ( Other) has 66 elements Select a group: 1 Selected 1: 'Other'Select a ...
cutoff-scheme = group coulombtype = PME rcoulomb = 1.2 vdwtype = cut-off rvdw = 1.2 Disp...
Select a group: 4 Selected 4: 'SPC'Reading frame 0 time 0.000 Precision of md2_cnt.xt...
Group 12 ( Water) has 47811 elements Group 13 ( SOL) has 47811 elements Group 14 ( non-Water) has 3381 elements Select a group: 13 Selected 13: 'SOL' Number of (3-atomic) solvent molecules: 15937 Processing topology Back Off! I just backed up temp.topDDa7Ex to ./#temp.topDDa7Ex...
Select a continuous group of solvent molecules Group 0(System)has 32889 elements Group 1(Protein)has 1494 elements Group 2(Protein-H)has 1163 elements Group 3(C-alpha)has 148 elements Group 4(Backbone)has 444 elements Group 5(MainChain)has 593 elements ...
也需要用select命令指明两个com of group "A" plus com of group "B"，另外也可以用select命令后加...
Select group to generate SDF时选择要统计SDF的组, Select group to output coords (e.g. solute)时选择中心分子组 2作图 将gOpenMol解压后,进入D:\gOpenMol-3.00\bin目录下,双击rungOpenMol.bat文件,即可打开gOpenMol的可视页面。 1)将grid.cube文件转化成grid.plt文件 ...