On Sat, Jun 6, 2015 at 1:48 PM, MOHD HOMAIDUR RAHMAN <rahmanhpu.gmail.com>
wrote:
> Dear Jason
>
> I have prep and frc file generated from antechamber.
> How to convert amber topology file to gromacs topology file from this file.
>
I believe there is a program acpype that can do this. To do this with
ParmEd, you need to download the latest version and write your own Python
script to do this.
There is documentation (
https://parmed.github.io/ParmEd) and examples in
the ParmEd test suite (test_format_conversions.py) that demonstrate how
this is done.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jun 07 2015 - 09:30:04 PDT
