csg_density - Man Page

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

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

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

Copyright 2009-2024 The VOTCA Development Team (http://www.votca.org)

Licensed under the Apache License, Version 2.0 (the "License"); you may not use this  file except in compliance with the License.  You may obtain a copy of the License at

      http://www.apache.org/licenses/LICENSE-2.0

Unless  required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY  KIND, either  express  or  implied.   See  the  License  for  the  specific  language  governing permissions and limitations under the License.