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csg_fluctuations - Part of the VOTCA package

Authors

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

Description

       calculate density fluctuations in subvolumes of the simulation box.Subolumes can be either cubic slabs in
       dimensions (x|y|z) or sphericalslabs with respect to either the center of box or a reference molecule

Name

csg_fluctuations - 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

       Fluctuation options:

         --filter arg (=*)                  filter molecule names
         --rmax arg                         maximal distance to be considered
         --rmin arg (=0)                    minimal distance to be considered
         --refmol arg                       Reference molecule
         --nbin arg (=100)                  Number of bins
         --geometry arg                     (sphere|x|y|z) Take radial or x, y, z
                                            slabs from rmin to rmax
         --outfile arg (=fluctuations.dat)  Output file

       Mapping options:

         --cg arg                             coarse graining mapping and bond
                                            definitions (xml-file)
         --map-ignore arg                     list of molecules to ignore separated by
                                            ;
         --no-map                             disable mapping and act on original
                                            trajectory

       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_fluctuations [OPTIONS]

       csg_fluctuations [--help]

See Also