Re: AMBER: RE: FF94 or FF99?

From: Carlos Simmerling <>
Date: Thu, 22 Nov 2007 19:13:16 -0500

"helical friendly" really should be described as "in love with helices,
turns everything into one"!

as others have mentioned, use ff99SB or ff03. checked the archives for
concerning the differences between these two.

On Nov 22, 2007 9:34 AM, Patel, Bhavesh H <>

> Hi all,
> I'm going to be running simulations on the interactions within a
> enzyme-inhibitor complex and I was wondering which amber force field, FF94
> or FF99 would be best to use?
> I know that FF94 is more helical friendly and that ther are some issues
> with FF99, for example, it can give an inaccurate description of
> electrostatic interaction between monomers at close distances of approach.
> Any information will be much appreciated!
> Thanks
> *Bhavesh*

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Received on Sun Nov 25 2007 - 06:07:28 PST
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