bionic (1) csg_dlptopol.1.gz

Provided by: votca-csg_1.4.1-1build1_amd64 bug

NAME

       csg_dlptopol - Part of the VOTCA package

SYNOPSIS

       csg_dlptopol [OPTION] [OPTIONPARAMETERS]

DESCRIPTION

       Create  a  dlpoly topology template based on an existing (atomistic) topology and a mapping xml-file. The
       created template file needs to be inspected and amended by the user!

       Please visit the program site at __http://www.votca.org__.

OPTIONS

       Allowed options:

       -h [ --help ]
              display this help and exit

       -v [ --verbose ]
              be loud and noisy

       --top arg
              atomistic topology file

       --out arg
              output topology in dlpoly format

       Mapping options:

       --cg arg
              coarse graining mapping and bond definitions (xml-file)

       --map-ignore arg
              list of molecules to ignore separated by ;

       --no-map
              disable mapping and act on original trajectory

EXAMPLES

              •  csg_dlptopol --top  .dlpf  --out  .dlpf  --cg  cg-map.xml  convert  FIELD  to  FIELD_CGV  using
                 cg-map.xml

              •  csg_dlptopol --top FA-dlpoly.dlpf --out CG-dlpoly.dlpf --cg cg-map.xml

              •  csg_dlptopol --top FA-gromacs.tpr --out FA-dlpoly.dlpf --no-map

AUTHORS

       Written and maintained by the VOTCA Development Team <devs@votca.org>

       This  Manual  Page  was  converted from t2t format to the this format by txt2tags (http://txt2tags.org) !
       The t2t file was extracted from 'csg_dlptopol --help' by help2t2t (version 1.4.1 )

       Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)

       Licensed under the Apache License, Version 2.0 (the "License"); you may  not  use  this  file  except  in
       compliance with the License.  You may obtain a copy of the License at

           http://www.apache.org/licenses/LICENSE-2.0

       Unless  required  by  applicable  law  or agreed to in writing, software distributed under the License is
       distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
       See the License for the specific language governing permissions and limitations under the License.