Provided by: votca_2022-3_amd64
csg_stat - Part of the VOTCA package
csg_stat [OPTIONS] csg_stat [--help]
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. Unlike csg_boltzmann, big systems can be treated as well as non- bonded interactions can be evaluated.
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
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Copyright 2009-2021 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 distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.