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CSG_DENSITY(1)		     General Commands Manual		  CSG_DENSITY(1)

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

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

COPYRIGHT
     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  dis-
     tributed under the License is distributed on an "AS IS" BASIS, WITHOUT WAR-
     RANTIES  OR  CONDITIONS  OF  ANY  KIND, either  express  or  implied.   See
     the  License  for	the  specific  language  governing permissions and limi-
     tations under the License.

VOTCA Development Team	     csg_density User Manual		  CSG_DENSITY(1)

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