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CSG_FLUCTUATIONS(1)	     General Commands Manual	     CSG_FLUCTUATIONS(1)

NAME
     csg_fluctuations - Part of the VOTCA package

SYNOPSIS
     csg_fluctuations [OPTIONS]

     csg_fluctuations [--help]

DESCRIPTION
     calculate	density  fluctuations in subvolumes of the simulation box.Subol-
     umes can be either cubic slabs in dimensions (x|y|z) or sphericalslabs with
     respect to either the center of box or a reference molecule

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

     Fluctuation options:

       --filter arg (=*)		  filter molecule names
       --rmax arg			  maximal distance to be considered
       --rmin arg (=0)			  minimal distance to be considered
       --refmol arg			  Reference molecule
       --nbin arg (=100)		  Number of bins
       --geometry arg			  (sphere|x|y|z) Take radial or x, y, z
					  slabs from rmin to rmax
       --outfile arg (=fluctuations.dat)  Output file

     Mapping options:

       --cg arg 			    coarse graining mapping and bond
					  definitions (xml-file)
       --map-ignore arg 		    list of molecules  to  ignore  sepa-
     rated by
					  ;
       --no-map 			    disable mapping and act on original
					  trajectory

     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_fluctuations User Manual      CSG_FLUCTUATIONS(1)

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