1csg_stat(1) General Commands Manual csg_stat(1)
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6 csg_stat - Part of the VOTCA package
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10 csg_stat [OPTION] [OPTIONPARAMETERS]
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14 Calculate all distributions (bonded and non-bonded) specified in
15 options file. Optionally calculates update matrix for invere Monte
16 Carlo. This program is called inside the inverse scripts. Unlike
17 csg_boltzmann, big systems can be treated as well as non-bonded inter‐
18 actions can be evaluated.
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21 Please visit the program site at __http://www.votca.org__.
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25 Allowed options:
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28 -h [ --help ]
29 display this help and exit
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31 -v [ --verbose ]
32 be loud and noisy
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34 --top arg
35 atomistic topology file
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38 Mapping options:
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41 --cg arg
42 [OPTIONAL] coarse graining mapping and bond definitions
43 (xml-file). If no file is given, program acts on original tra‐
44 jectory
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46 --map-ignore arg
47 list of molecules to ignore if mapping is done separated by ;
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50 Specific options:
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53 --options arg
54 options file for coarse graining
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56 --do-imc
57 write out additional Inverse Monte Carlo data
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59 --block-length arg
60 write blocks of this length, the averages are cleared after
61 every write
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63 --ext arg (=dist.new)
64 Extension of the output
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67 Threading options:
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70 --nt arg (=1)
71 number of threads
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74 Trajectory options:
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77 --trj arg
78 atomistic trajectory file
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80 --begin arg (=0)
81 skip frames before this time (only works for Gromacs files)
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83 --first-frame arg (=0)
84 start with this frame
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86 --nframes arg
87 process the given number of frames
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91 Written and maintained by the VOTCA Development Team <devs@votca.org>
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94 This Manual Page was converted from t2t format to the this format by
95 txt2tags (http://txt2tags.org) ! The t2t file was extracted from
96 'csg_stat --help' by help2t2t (version 1.5.1 )
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100 Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
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103 Licensed under the Apache License, Version 2.0 (the "License"); you may
104 not use this file except in compliance with the License. You may
105 obtain a copy of the License at
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108 http://www.apache.org/licenses/LICENSE-2.0
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111 Unless required by applicable law or agreed to in writing, software
112 distributed under the License is distributed on an "AS IS" BASIS, WITH‐
113 OUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
114 See the License for the specific language governing permissions and
115 limitations under the License.
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122Version: 1.5.1 2019-11-22 00:00:00 csg_stat(1)