NAME

csg_density - Part of the VOTCA package

SYNOPSIS

csg_density [OPTIONS]

csg_density [–help]

DESCRIPTION

Calculates the mass density distribution along a box axis or radial density profile from reference point

OPTIONS

Allowed options:

  -h [ --help ]             display this help and exit
  --verbose                 be loud and noisy
  --verbose1                be very loud and noisy
  -v [ --verbose2 ]         be extremly loud and noisy
  --top arg                 atomistic topology file

Mapping options:

  --cg arg                  [OPTIONAL] coarse graining mapping and bond
                          definitions
                            (xml-file). If no file is given, program acts on
                          original trajectory
  --map-ignore arg          list of molecules to ignore if mapping is done
                          separated by ;

Specific options::

  --type arg (=mass)      density type: mass or number
  --axis arg (=r)         [x|y|z|r] density axis (r=spherical)
  --step arg (=0.01)      spacing of density
  --block-length arg        write blocks of this length, the averages are
                          cleared after every write
  --out arg               Output file
  --rmax arg              rmax (default for [r] =min of all box vectors/2, else
                          l )
  --scale arg (=1)        scale factor for the density
  --molname arg (=*)      molname
  --filter arg (=*)       filter bead names
  --ref arg               reference zero point

Trajectory options:

  --trj arg                 atomistic trajectory file
  --begin arg (=0)          skip frames before this time (only works for
                          Gromacs files)
  --first-frame arg (=0)    start with this frame
  --nframes arg             process the given number of frames