6.1. xtp_map

6.1.1. help

6.1.1.1. NAME

xtp_map - Part of the VOTCA package

6.1.1.2. SYNOPSIS

xtp_map [OPTIONS]

xtp_map [–help]

6.1.1.3. DESCRIPTION

Generates QM|MD topology

6.1.1.4. 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
  -t [ --topology ] arg            topology
  -c [ --coordinates ] arg         coordinates or trajectory
  -s [ --segments ] arg            definition of segments and fragments
  -m [ --makesegments ]            write out a skeleton segments file
  -f [ --file ] arg                state file
  -i [ --first-frame ] arg (=0)    start from this frame
  -b [ --begin ] arg (=0)          start time in simulation
  -n [ --nframes ] arg (=1)        number of frames to process