Category: Trajectory File Commands

trajout

Set up an output trajectory or ensemble for writing during a Run. trajout <filename> [<format>] [append] [nobox] [novelocity][notemperature] [notime] [noforce] [noreplicadim] [parm <parmfile> | parmindex <#>] [onlyframes <range>] [title <title>] [onlymembers <memberlist>] [start <start>] [stop <stop>] [offset <offset>]… Read More