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csg_dlptopol - Part of the VOTCA package

Authors

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

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!

         * 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

Name

csg_dlptopol - Part of the VOTCA package

Options

       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

Synopsis

csg_dlptopol [OPTIONS]

       csg_dlptopol [--help]

See Also