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CSG_PARTIAL_RDF(1)	    General Commands Manual	    CSG_PARTIAL_RDF(1)

NAME
       csg_partial_rdf - Part of the VOTCA package

SYNOPSIS
       csg_partial_rdf [OPTIONS]

       csg_partial_rdf [--help]

DESCRIPTION
       Calculate spatially confined rdfs

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:

	 --options arg		   options file	defining the rdfs
	 --subvolume_radius arg	 Rdf calc. in spherical	subvolume of this
       radius (from
				 center	of box)
	 --do-vol-corr		 Correct for subvolume truncation in rdf
	 --write-every arg	  (UNIMPLEMENTED) write	after every block of
       this
				 length, if --blocking	 is set, the averages
       are
				 cleared after every output
	 --do-blocks		   write output	for blocking analysis

       Threading options:

	 --nt arg (=1)		   number of threads

       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
       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.

VOTCA Development Team	  csg_partial_rdf User Manual	    CSG_PARTIAL_RDF(1)

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