I have used parmed command of amber to convert amber force field files into
gromacs force field files. The details of script (amb-gro.py) is given
below.
==============================
import parmed as pmd
parm = pmd.load_file('molecule.prmtop','molecule.inpcrd')
parm.save('molecule.top')
parm.save('molecule.gro')
==================================
Now, you can run the following command to generate the gromacs force field
files.
*amber.python amb-gro.py*
*<enter>*
On Tue, Mar 5, 2019 at 4:44 AM Akshay Prabhakant <akshayresearch16.gmail.com>
wrote:
> How to use the parmed and amber.python files for conversion of .inprcd and
> .prmtop files to .gro and .top files, so that these can be used in gromacs?
> I have visited this link <http://ambermd.org/parmed_gromacs.html> , but
> cannot seem to understand what command to execute(sorry).
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Received on Tue Mar 05 2019 - 06:30:02 PST
