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csg_density - Man Page

Part of the VOTCA package


csg_density [Options]

csg_density [--help]


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


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

                           (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


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


csg_density User Manual VOTCA Development Team