logo
Free, unlimited AI code reviews that run on commit
git-lrc git-lrc GitHub Install Now We'd appreciate a star git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt

csg_part_dist - Part of the VOTCA package

Authors

       Written and maintained by the VOTCA Development Team <devs@votca.org>

Description

       This program reads a topology and (set of) trajectory(ies). For every binned value of a chosen
       coordinate, it outputs the time-averaged number of particles, listed by particle types.

Name

csg_part_dist - Part of the VOTCA package

Options

       Allowed options:

         --top arg             topology file
         --trj arg             trajectory file
         --grid arg            output grid spacing (min:step:max)
         --out arg             output particle distribution table
         --ptypes arg          particle types to include in the analysis
                                arg: file - particle types separated by space
                                default: all particle types
         --first_frame arg     first frame considered for analysis
         --last_frame arg      last frame considered for analysis
         --coord arg           coordinate analyzed ('x', 'y', or 'z' (default))
         --shift_com           shift center of mass to zero
         --comment arg         store a comment in the output table
         --help                produce this help message

Synopsis

csg_part_dist [OPTIONS]

       csg_part_dist [--help]

See Also