Category: CPPTRAJ

set

Set or update a script variable. set { <variable> <OP> <value> | <variable> <OP> {atoms|residues|molecules} inmask <mask> [parm <name> | parmindex <#> | <#>] <variable> <OP> trajinframes } Available <OP> : ’=’, ’+=’ <variable> <OP> <value> Set or… Read More

for

Create a ’for’ loop. for { {atoms|residues|molecules|molfirstres|mollastres} <var> inmask <mask> [parm <name> | parmindex <#> | <#>] | <var> in <list> | <var> oversets <list> | <var> datasetblocks <set> blocksize <#> [blockoffset <#>] [cumulative [firstblock <#>]] | <var>=<start>;[<var><end… Read More

show

Show all current script variables and their values. show [<var1> …] If no variable names specified, show all current script variables and their values. Otherwise, show the values of the specified script variables.