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csg_stat - Part of the VOTCA package

Authors

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

Description

       Calculate all distributions (bonded and non-bonded) specified in options file.  Optionally calculates
       update Eigen::Matrix3d for invere Monte Carlo. This program is called inside the inverse scripts. Unlike
       csg_boltzmann, big systems can be treated as well as non-bonded interactions can be evaluated.

Name

csg_stat - Part of the VOTCA package

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 for coarse graining
         --do-imc                  write out additional Inverse Monte Carlo data
         --include-intra           do not exclude intramolecular neighbors
         --block-length arg        write blocks of this length, the averages are
                                 cleared after every write
         --ext arg (=dist.new)   Extension of the output

       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

Synopsis

csg_stat [OPTIONS]

       csg_stat [--help]

See Also