/topconv

Convert amber topology parameter & coordinate file to gromacs topology file

Primary LanguagePython

topconv

Convert AMBER topology parameter & coordinate file to GROMACS topology file.

Reguirement

  • Python 2 or 3
  • ParmEd 3

Usage:

  • HELP

$ topconv.py -h

  • CONVERT

$ topconv.py -p [AMBER prmtop file] -c [AMBER inpcrd file] -t [GROMACS topology file] -g [GROMACS topology file]