csg_part_dist - Man Page

Part of the VOTCA package


csg_part_dist [Options]

csg_part_dist [--help]


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.


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


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


csg_part_dist User Manual VOTCA Development Team