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CSG_FLUCTUATIONS(1) General Commands Manual CSG_FLUCTUATIONS(1) NAME csg_fluctuations - Part of the VOTCA package SYNOPSIS csg_fluctuations [OPTIONS] csg_fluctuations [--help] DESCRIPTION calculate density fluctuations in subvolumes of the simulation box.Subol- umes can be either cubic slabs in dimensions (x|y|z) or sphericalslabs with respect to either the center of box or a reference molecule 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 Fluctuation options: --filter arg (=*) filter molecule names --rmax arg maximal distance to be considered --rmin arg (=0) minimal distance to be considered --refmol arg Reference molecule --nbin arg (=100) Number of bins --geometry arg (sphere|x|y|z) Take radial or x, y, z slabs from rmin to rmax --outfile arg (=fluctuations.dat) Output file Mapping options: --cg arg coarse graining mapping and bond definitions (xml-file) --map-ignore arg list of molecules to ignore sepa- rated by ; --no-map disable mapping and act on original trajectory 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_fluctuations User Manual CSG_FLUCTUATIONS(1)
NAME | SYNOPSIS | DESCRIPTION | OPTIONS | AUTHORS | COPYRIGHT
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