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

NAME

6       csg_dlptopol - Part of the VOTCA package
7

SYNOPSIS

9       csg_dlptopol [OPTION] [OPTIONPARAMETERS]
10

DESCRIPTION

12       Create  a  dlpoly  topology  template  based on an existing (atomistic)
13       topology and a mapping xml-file. The created template file needs to  be
14       inspected and amended by the user!
15
16       Please visit the program site at __http://www.votca.org__.
17

OPTIONS

19       Allowed options:
20
21
22       -h [ --help ]
23              display this help and exit
24
25       --verbose
26              be loud and noisy
27
28       --verbose1
29              be very loud and noisy
30
31       -v [ --verbose2 ]
32              be extremly loud and noisy
33
34       --top arg
35              atomistic topology file
36
37       --out arg
38              output topology in dlpoly format
39
40
41       Mapping options:
42
43
44       --cg arg
45              coarse graining mapping and bond definitions (xml-file)
46
47       --map-ignore arg
48              list of molecules to ignore separated by ;
49
50       --no-map
51              disable mapping and act on original trajectory
52
53

EXAMPLES

55              •  csg_dlptopol  --top .dlpf --out .dlpf --cg cg-map.xml convert
56                 FIELD to FIELD_CGV using cg-map.xml
57
58              •  csg_dlptopol --top FA-dlpoly.dlpf --out  CG-dlpoly.dlpf  --cg
59                 cg-map.xml
60
61              •  csg_dlptopol   --top   FA-gromacs.tpr   --out  FA-dlpoly.dlpf
62                 --no-map
63

AUTHORS

65       Written and maintained by the VOTCA Development Team <devs@votca.org>
66
67       This Manual Page was converted from t2t format to the  this  format  by
68       txt2tags  (http://txt2tags.org)  !   The  t2t  file  was extracted from
69       'csg_dlptopol --help' by help2t2t (version 2021.2 )
70

72       Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
73
74       Licensed under the Apache License, Version 2.0 (the "License"); you may
75       not  use  this file except in compliance with the License.  You may ob‐
76       tain a copy of the License at
77
78           http://www.apache.org/licenses/LICENSE-2.0
79
80       Unless required by applicable law or agreed  to  in  writing,  software
81       distributed under the License is distributed on an "AS IS" BASIS, WITH‐
82       OUT WARRANTIES OR CONDITIONS OF ANY KIND, either  express  or  implied.
83       See  the  License  for  the specific language governing permissions and
84       limitations under the License.
85
86
87
88
89Version: 2021.2               2021-09-20 00:00:00              csg_dlptopol(1)
Impressum