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CSG_PARTIAL_RDF(1) General Commands Manual CSG_PARTIAL_RDF(1) 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 AUTHORS Written and maintained by the VOTCA Development Team <devs@votca.org> COPYRIGHT Copyright 2009-2024 The VOTCA Development Team (http://www.votca.org) Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at http://www.apache.org/licenses/LICENSE-2.0 Unless required by applicable law or agreed to in writing, software dis- tributed under the License is distributed on an "AS IS" BASIS, WITHOUT WAR- RANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limi- tations under the License. VOTCA Development Team csg_partial_rdf User Manual CSG_PARTIAL_RDF(1)
NAME | SYNOPSIS | DESCRIPTION | OPTIONS | AUTHORS | COPYRIGHT
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