AMBER Archive (2008)

Subject: Re: AMBER: Force field equation

From: Chih-Ying Lin (chihying_at_usc.edu)
Date: Thu Aug 21 2008 - 00:16:42 CDT

Yes, I am trying to mix force field components for different parts of my system.
my second question is if possible , more sets of FF parameters to describe one bond / one angle/ one dihedral.
in the frcmod file, we could only write one row of FF for one bond, one row of FF for one angle, and one row of FF for one dihedral.

Is it possible for writing several rows for one bond/ one angle/ one dihedral?

Thank you
Lin

----- Original Message -----
From: Carlos Simmerling <carlos.simmerling_at_gmail.com>
Date: Wednesday, August 20, 2008 10:56 am
Subject: Re: AMBER: Force field equation
To: amber_at_scripps.edu

> 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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>
>
> --
> ===================================================================
> Carlos L. Simmerling, Ph.D.
> Associate Professor Phone: (631) 632-1336
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