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csg_dlptopol - Man Page

Part of the VOTCA package

Synopsis

csg_dlptopol [Options]

csg_dlptopol [--help]

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
 
 
 

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

Authors

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

Info

csg_dlptopol User Manual VOTCA Development Team