1CSG_FMATCH(1) General Commands Manual CSG_FMATCH(1)
2
3
4
6 csg_fmatch - Part of the VOTCA package
7
8
9
11 csg_fmatch [OPTIONS]
12
13 csg_fmatch [--help]
14
15
16
18 Perform force matching (also called multiscale coarse-graining)
19
20
21
22
23
25 Allowed options:
26
27 -h [ --help ] display this help and exit
28 --verbose be loud and noisy
29 --verbose1 be very loud and noisy
30 -v [ --verbose2 ] be extremly loud and noisy
31 --top arg atomistic topology file
32 --options arg options file for coarse graining
33 --trj-force arg coarse-grained trajectory containing forces
34 of
35 already known interactions
36
37 Mapping options:
38
39 --cg arg coarse graining mapping and bond
40 definitions
41 (xml-file)
42 --map-ignore arg list of molecules to ignore separated by ;
43 --no-map disable mapping and act on original
44 trajectory
45
46 Trajectory options:
47
48 --trj arg atomistic trajectory file
49 --begin arg (=0) skip frames before this time (only works
50 for
51 Gromacs files)
52 --first-frame arg (=0) start with this frame
53 --nframes arg process the given number of frames
54
55
57 Written and maintained by the VOTCA Development Team <devs@votca.org>
58
59
60
62 Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
63
64 Licensed under the Apache License, Version 2.0 (the "License"); you may
65 not use this file except in compliance with the License. You may
66 obtain a copy of the License at
67
68 http://www.apache.org/licenses/LICENSE-2.0
69
70 Unless required by applicable law or agreed to in writing, software
71 distributed under the License is distributed on an "AS IS" BASIS,
72 WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or
73 implied. See the License for the specific language governing
74 permissions and limitations under the License.
75
76
77
78
79VOTCA Development Team csg_fmatch User Manual CSG_FMATCH(1)