csg_partial_rdf - Man Page

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

Authors

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

Info

csg_partial_rdf User Manual VOTCA Development Team