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CSG_STAT(1) General Commands Manual CSG_STAT(1) NAME csg_stat - Part of the VOTCA package SYNOPSIS csg_stat [OPTIONS] csg_stat [--help] DESCRIPTION Calculate all distributions (bonded and non-bonded) specified in options file. Optionally calculates update Eigen::Matrix3d for invere Monte Carlo. This program is called inside the inverse scripts. Big systems can be treated as well as non-bonded interactions can be evaluated. 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 for coarse graining --do-imc write out additional Inverse Monte Carlo data --include-intra do not exclude intramolecular neighbors --block-length arg write blocks of this length, the averages are cleared after every write --ext arg (=dist.new) Extension of the output 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_stat User Manual CSG_STAT(1)
NAME | SYNOPSIS | DESCRIPTION | OPTIONS | AUTHORS | COPYRIGHT
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