Tag: general commands

activeref

Select the reference for distance-based masks activeref <#> Set which reference structure should be used when setting up distance-based masks for everything but the mask action. Numbering starts from 0, so ’activeref 0’ selects the first reference structure… Read More

clear

Clear various objects from the CPPTRAJ state clear [{all | <type>}] <type> = actions, trajin, trajout, ref, parm, analysis, datafile, dataset Clear list of indicated type, or all lists if ’all’ specified. Note that when clearing actions or… Read More

help

Provide help for commands help {[<command>] | General | Action | Analysis | Topology | Trajectory} By itself, list all commands known to CPPTRAJ. If given with a command, print help for that command. Otherwise, list all commands… Read More