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CSG_SPHERICALORDER(1) General Commands Manual CSG_SPHERICALORDER(1) NAME csg_sphericalorder - Part of the VOTCA package SYNOPSIS csg_sphericalorder [OPTIONS] csg_sphericalorder [--help] DESCRIPTION !! EXPERIMENTAL !! Calculate spherical order parameter. Needs non-spherical beads in mapping. 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 --filter arg (=*) filter molecule names --radialcut arg (=0) radial cutoff: distance from center where bead is considered --minrad arg (=0) minimal distance a parcle has to be apart from center to be considerd --refmol arg Reference molecule --rbinw arg (=0) Do multiple r_bins multiple histograms Mapping options: --cg arg coarse graining mapping and bond definitions (xml-file) --map-ignore arg list of molecules to ignore separated 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_sphericalorder User Manual CSG_SPHERICALORDER(1)
NAME | SYNOPSIS | DESCRIPTION | OPTIONS | AUTHORS | COPYRIGHT
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