Re: Potential Terms

From: Jim Phillips (
Date: Wed Jan 07 2004 - 09:45:11 CST


It wouldn't be simple, but most of the complication would come from
managing the parameters. I assume that the cross terms (e.g.,
angle-angle-dihedral) are all local (i.e., part of the same dihedral).

I'll keep this in mind in the design of future versions. Thanks.


On Mon, 5 Jan 2004, AHMET BAKAN wrote:

> Hi All, I have attached terms of a second generation force field
> potential calculation. CHARMM includes some of those terms, so NAMD
> does. I do not know about architecture of NAMD, and wanna ask if it is
> simple to expand potential terms of NAMD in order to use a second
> generation force field? It is pleasure to have any comments, thanks.
> Ahmet ==============ABC============== Ahmet BAKAN Chemistry, Junior Koc
> University ICQ #86167698

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