Ubuntu Manpage: csg_density – Part of the VOTCA package

Provided by: votca-csg_2021.2-1_amd64 bug


NAME

       csg_density - Part of the VOTCA package

SYNOPSIS

       csg_density [OPTION] [OPTIONPARAMETERS]

DESCRIPTION

       Calculates  the  mass density distribution along a box axis or radial density profile from
       reference point

       Please visit the program site at __http://www.votca.org__.

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>

       This  Manual  Page  was  converted  from  t2t  format  to  the  this  format  by  txt2tags
       (http://txt2tags.org) !  The t2t file was extracted from 'csg_density --help' by  help2t2t
       (version 2021.2 )

COPYRIGHT

       Copyright 2009-2011 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.

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