1csg_density(1)              General Commands Manual             csg_density(1)
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NAME

6       csg_density - Part of the VOTCA package
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SYNOPSIS

9       csg_density [OPTION] [OPTIONPARAMETERS]
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DESCRIPTION

12       Calculates  the  mass  density  distribution along a box axis or radial
13       density profile from reference point
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15       Please visit the program site at __http://www.votca.org__.
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OPTIONS

18       Allowed options:
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21       -h [ --help ]
22              display this help and exit
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24       --verbose
25              be loud and noisy
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27       --verbose1
28              be very loud and noisy
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30       -v [ --verbose2 ]
31              be extremly loud and noisy
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33       --top arg
34              atomistic topology file
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37       Mapping options:
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40       --cg arg
41              [OPTIONAL]  coarse  graining  mapping   and   bond   definitions
42              (xml-file).  If  no file is given, program acts on original tra‐
43              jectory
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45       --map-ignore arg
46              list of molecules to ignore if mapping is done separated by ;
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49       Specific options::
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52       --type arg (=mass)
53              density type: mass or number
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55       --axis arg (=r)
56              [x|y|z|r] density axis (r=spherical)
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58       --step arg (=0.01)
59              spacing of density
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61       --block-length arg
62              write blocks of this length,  the  averages  are  cleared  after
63              every write
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65       --out arg
66              Output file
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68       --rmax arg
69              rmax (default for [r] =min of all box vectors/2, else l )
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71       --scale arg (=1)
72              scale factor for the density
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74       --molname arg (=*)
75              molname
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77       --filter arg (=*)
78              filter bead names
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80       --ref arg
81              reference zero point
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84       Trajectory options:
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87       --trj arg
88              atomistic trajectory file
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90       --begin arg (=0)
91              skip frames before this time (only works for Gromacs files)
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93       --first-frame arg (=0)
94              start with this frame
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96       --nframes arg
97              process the given number of frames
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AUTHORS

101       Written and maintained by the VOTCA Development Team <devs@votca.org>
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103       This  Manual  Page  was converted from t2t format to the this format by
104       txt2tags (http://txt2tags.org) !   The  t2t  file  was  extracted  from
105       'csg_density --help' by help2t2t (version 2021 )
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108       Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
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110       Licensed under the Apache License, Version 2.0 (the "License"); you may
111       not use this file except in  compliance  with  the  License.   You  may
112       obtain a copy of the License at
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114           http://www.apache.org/licenses/LICENSE-2.0
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116       Unless  required  by  applicable  law or agreed to in writing, software
117       distributed under the License is distributed on an "AS IS" BASIS, WITH‐
118       OUT  WARRANTIES  OR  CONDITIONS OF ANY KIND, either express or implied.
119       See the License for the specific  language  governing  permissions  and
120       limitations under the License.
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125Version: 2021                 2021-03-13 00:00:00               csg_density(1)
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