.TH "CSG_ORIENTCORR" "1" " csg_orientcorr User Manual" "VOTCA Development Team"
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.SH NAME
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\fBcsg_orientcorr\fP \- Part of the VOTCA package


.SH SYNOPSIS
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\fBcsg_orientcorr\fP [OPTIONS]
.PP
\fBcsg_orientcorr\fP [\-\-help]


.SH DESCRIPTION
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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 distance between bond segments (centered on middle of bond).

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




.SH OPTIONS
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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

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


.SH COPYRIGHT
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Copyright 2009\-2021 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.