Re: [AMBER] Converting Gromacs topology files to Amber format

From: Jason Swails <jason.swails.gmail.com>
Date: Sun, 7 Jun 2015 12:25:52 -0400

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.
>

‚ÄčI 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
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Received on Sun Jun 07 2015 - 09:30:04 PDT
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