Provided by: votca_2022-3_amd64
csg_partial_rdf - Part of the VOTCA package
csg_partial_rdf [OPTIONS] csg_partial_rdf [--help]
Calculate spatially confined rdfs
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
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