On 12/03/2013 11:45 AM, Chetan Mahajan wrote: > are there other tools to convert Amber input files > into the ones for Gromacs? I've had success with acpype: https://code.google.com/p/acpype/ Use the "amb2gmx" mode: acpype -p _prmtop_ -x _inpcrd_ -- Wes Barnett | jbarnet4 at tulane.edu