csg_dlptopol - Man Page

csg_dlptopol [Options]

csg_dlptopol [--help]

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!

 * 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
 
 
 

Allowed options:

   -h [ --help ]            display this help and exit
   --verbose                be loud and noisy
   --verbose1               be very loud and noisy
   -v [ --verbose2 ]        be extremly 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

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

Copyright 2009-2024 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.