1csg_reupdate(1)             General Commands Manual            csg_reupdate(1)
2
3
4

NAME

6       csg_reupdate - Part of the VOTCA package
7
8

SYNOPSIS

10       csg_reupdate [OPTION] [OPTIONPARAMETERS]
11
12

DESCRIPTION

14       computes relative entropy update.
15
16
17       Please visit the program site at __http://www.votca.org__.
18
19

OPTIONS

21       Allowed options:
22
23
24       -h [ --help ]
25              display this help and exit
26
27       -v [ --verbose ]
28              be loud and noisy
29
30       --top arg
31              atomistic topology file (only needed for RE update)
32
33              RE Specific options:
34
35       --options arg
36              options file for coarse graining
37
38       --gentable arg (=0)
39              only  generate  potential  tables from given parameters,   NO RE
40              update!
41
42       --interaction arg
43              [OPTIONAL] generate potential  tables  only  for  the  specified
44              interactions, only valid when 'gentable' is true
45
46       --param-in-ext arg (=param.cur)
47              Extension of the input parameter tables
48
49       --param-out-ext arg (=param.new)
50              Extension of the output parameter tables
51
52       --pot-out-ext arg (=pot.new)
53              Extension of the output potential tables
54
55       --hessian-check arg (=1)
56              Extension of the output potential tables
57
58
59       Threading options:
60
61
62       --nt arg (=1)
63              number of threads
64
65
66       Trajectory options:
67
68
69       --trj arg
70              atomistic trajectory file
71
72       --begin arg (=0)
73              skip frames before this time (only works for Gromacs files)
74
75       --first-frame arg (=0)
76              start with this frame
77
78       --nframes arg
79              process the given number of frames
80
81

AUTHORS

83       Written and maintained by the VOTCA Development Team <devs@votca.org>
84
85
86       This  Manual  Page  was converted from t2t format to the this format by
87       txt2tags (http://txt2tags.org) !   The  t2t  file  was  extracted  from
88       'csg_reupdate --help' by help2t2t (version 1.5.1 )
89
90

92       Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
93
94
95       Licensed under the Apache License, Version 2.0 (the "License"); you may
96       not use this file except in  compliance  with  the  License.   You  may
97       obtain a copy of the License at
98
99
100           http://www.apache.org/licenses/LICENSE-2.0
101
102
103       Unless  required  by  applicable  law or agreed to in writing, software
104       distributed under the License is distributed on an "AS IS" BASIS, WITH‐
105       OUT  WARRANTIES  OR  CONDITIONS OF ANY KIND, either express or implied.
106       See the License for the specific  language  governing  permissions  and
107       limitations under the License.
108
109
110
111
112
113
114Version: 1.5.1                2019-11-22 00:00:00              csg_reupdate(1)
Impressum