NAME

csg_dlptopol - 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!

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

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