1CSG_SPHERICALORDER(1) General Commands Manual CSG_SPHERICALORDER(1)
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6 csg_sphericalorder - Part of the VOTCA package
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11 csg_sphericalorder [OPTIONS]
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13 csg_sphericalorder [--help]
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18 !! EXPERIMENTAL !! Calculate spherical order parameter.
19 Needs non-spherical beads in mapping.
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28 Allowed options:
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30 -h [ --help ] display this help and exit
31 --verbose be loud and noisy
32 --verbose1 be very loud and noisy
33 -v [ --verbose2 ] be extremly loud and noisy
34 --top arg atomistic topology file
35 --filter arg (=*) filter molecule names
36 --radialcut arg (=0) radial cutoff: distance from center where
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39 --minrad arg (=0) minimal distance a parcle has to be apart
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41 to be considerd
42 --refmol arg Reference molecule
43 --rbinw arg (=0) Do multiple r_bins multiple histograms
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45 Mapping options:
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47 --cg arg coarse graining mapping and bond
48 definitions
49 (xml-file)
50 --map-ignore arg list of molecules to ignore separated by ;
51 --no-map disable mapping and act on original
52 trajectory
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54 Trajectory options:
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56 --trj arg atomistic trajectory file
57 --begin arg (=0) skip frames before this time (only works
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59 Gromacs files)
60 --first-frame arg (=0) start with this frame
61 --nframes arg process the given number of frames
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65 Written and maintained by the VOTCA Development Team <devs@votca.org>
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70 Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
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72 Licensed under the Apache License, Version 2.0 (the "License"); you may
73 not use this file except in compliance with the License. You may
74 obtain a copy of the License at
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76 http://www.apache.org/licenses/LICENSE-2.0
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78 Unless required by applicable law or agreed to in writing, software
79 distributed under the License is distributed on an "AS IS" BASIS,
80 WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or
81 implied. See the License for the specific language governing
82 permissions and limitations under the License.
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87VOTCA Development Team csg_sphericalorder User Manual CSG_SPHERICALORDER(1)