NAME

csg_part_dist - Part of the VOTCA package

SYNOPSIS

csg_part_dist [OPTIONS]

csg_part_dist [–help]

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.

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