Re: [AMBER] force field searching

From: case <>
Date: Sat, 27 Nov 2010 22:03:56 -0500

On Sat, Nov 27, 2010, Eliac Brown wrote:

> I am a new user of amber, I want to use that force field which add
> extrapoint on the nitrogen and oxygen atoms in amino residues.
> I tried using ff99ep but it didn't add points on the histadine or the
> other amino acids.

All the Amber-developed force fields are described in Chapter 2 of the
AmberTools Users' Manual. I don't think there has ever been an ff99ep.
The only extra point force field currently recommended is ff02polEP.r1,
and I think it is very rarely used. We have never had force fields with lone
pairs on nitrogens.


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Received on Sat Nov 27 2010 - 19:30:03 PST
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