1CSG_PART_DIST(1) General Commands Manual CSG_PART_DIST(1)
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6 csg_part_dist - Part of the VOTCA package
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11 csg_part_dist [OPTIONS]
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13 csg_part_dist [--help]
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18 This program reads a topology and (set of) trajectory(ies). For every
19 binned value of a chosen coordinate, it outputs the time-averaged
20 number of particles, listed by particle types.
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26 Allowed options:
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28 --top arg topology file
29 --trj arg trajectory file
30 --grid arg output grid spacing (min:step:max)
31 --out arg output particle distribution table
32 --ptypes arg particle types to include in the analysis
33 arg: file - particle types separated by space
34 default: all particle types
35 --first_frame arg first frame considered for analysis
36 --last_frame arg last frame considered for analysis
37 --coord arg coordinate analyzed ('x', 'y', or 'z'
38 (default))
39 --shift_com shift center of mass to zero
40 --comment arg store a comment in the output table
41 --help produce this help message
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45 Written and maintained by the VOTCA Development Team <devs@votca.org>
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50 Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
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52 Licensed under the Apache License, Version 2.0 (the "License"); you may
53 not use this file except in compliance with the License. You may
54 obtain a copy of the License at
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56 http://www.apache.org/licenses/LICENSE-2.0
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58 Unless required by applicable law or agreed to in writing, software
59 distributed under the License is distributed on an "AS IS" BASIS,
60 WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or
61 implied. See the License for the specific language governing
62 permissions and limitations under the License.
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67VOTCA Development Team csg_part_dist User Manual CSG_PART_DIST(1)