Re: [AMBER] Gromacs towards Amber conversion

From: Carlos Simmerling <>
Date: Sat, 28 Mar 2015 10:30:07 -0400

do you plan to use Gromacs for the parameters for your whole system? Be
aware that you should not mix modified amino acids from Gromacs with the
normal Amber parameters.

Or are you asking howto use the Amber program to run a simulation using the
Gromacs force field? I'm not sure if that's possible. Which modified amino
acids do you need?

On Sat, Mar 28, 2015 at 10:25 AM, Simone Fulle <> wrote:

> Hi,
> I would like to use force field parameter of modified amino acids, which
> are already available in the Gromacs format. As I would like to use Amber
> for the simulations, I am aiming to transform these parameters into the
> classical Amber .lib and .frcmod format. I found solutions to convert Amber
> towards Gromacs file formats but, unfortunately, not the other way around
> (i.e. Gromacs towards Amber). Maybe I just missed it - are there any
> scripts or functions which I could use for the conversion?
> Best,
> Simone
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Received on Sat Mar 28 2015 - 08:00:02 PDT
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