NAME

csg_partial_rdf - Part of the VOTCA package

SYNOPSIS

csg_partial_rdf [OPTIONS]

csg_partial_rdf [–help]

DESCRIPTION

Calculate spatially confined rdfs

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 defining the rdfs
  --subvolume_radius arg  Rdf calc. in spherical subvolume of this radius (from
                          center of box)
  --do-vol-corr           Correct for subvolume truncation in rdf
  --write-every arg        (UNIMPLEMENTED) write after every block of this
                          length, if --blocking   is set, the averages are
                          cleared after every output
  --do-blocks               write output for blocking analysis

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