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CSG_ORIENTCORR(1)	     General Commands Manual	       CSG_ORIENTCORR(1)

NAME
     csg_orientcorr - Part of the VOTCA package

SYNOPSIS
     csg_orientcorr [OPTIONS]

     csg_orientcorr [--help]

DESCRIPTION
     Calculates the orientational correlation function <3/2*u(0)*u(r) - 1/2> for
     a	polymer melt, where u is the vector pointing along a bond and r the dis-
     tance between bond segments (centered on middle of bond).

     The output is correlation.dat (with intra-molecular contributions) and cor-
     relation_excl.dat, where inter-molecular contributions are excluded.

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

     Neighbor search options:

       -c [ --cutoff ] arg (=1)  cutoff for the neighbor search
       --nbins arg (=40)	 number of bins for the grid
       --nbmethod arg (=grid)	 neighbor search algorithm (simple or grid)

     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 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_orientcorr User Manual	       CSG_ORIENTCORR(1)

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