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CSG_REUPDATE(1) General Commands Manual CSG_REUPDATE(1) NAME csg_reupdate - Part of the VOTCA package SYNOPSIS csg_reupdate [OPTIONS] csg_reupdate [--help] DESCRIPTION computes relative entropy update. 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 (only needed for RE update) RE Specific options: --options arg options file for coarse graining --gentable arg (=0) only generate potential tables from given parameters, NO RE update! --interaction arg [OPTIONAL] generate potential tables only for the specified interactions, only valid when 'gentable' is true --param-in-ext arg (=param.cur) Extension of the input parameter ta- bles --param-out-ext arg (=param.new) Extension of the output parameter ta- bles --pot-out-ext arg (=pot.new) Extension of the output potential ta- bles --hessian-check arg (=1) Disable the hessian check (mostly for testing) 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_reupdate User Manual CSG_REUPDATE(1)
NAME | SYNOPSIS | DESCRIPTION | OPTIONS | AUTHORS | COPYRIGHT
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