AMBER Archive (2008)

Subject: Re: AMBER: Force field equation

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Wed Aug 20 2008 - 12:53:03 CDT

I don't know of gromos input files for AMber, but much recent work has
shown the Amber ff99SB force field for proteins to be superior to
gromos96. I would try to use ff99SB if possible, especially since it
is well tested with the amber codes.
your second question is not very clear, can you explain more about
what you want to do? are you trying to mix force field components for
different parts of your system?

On Wed, Aug 20, 2008 at 12:05 PM, Chih-Ying Lin <chihying_at_usc.edu> wrote:
>
> Hi
> I know the force field (FF) parameters from Amber can port to Gromacs.
>
> But, could anyone know if Gromos 96 could port to Amber?
>
>
> In Amber, one set of FF parameters determine one bond/ one angle/ one dihedral.
> Could I use more sets of FF parameters to describe one bond / one angle/ one dihedral?
>
> If so, please tell me how to do so.
>
> Thanks
> Lin
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-- 
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Carlos L. Simmerling, Ph.D.
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