Re: [AMBER] ff03 force field

From: case <>
Date: Sun, 3 Jul 2011 12:59:17 -0400

On Thu, Jun 30, 2011, wrote:
> Is it possible to add the extra point stuff in ff03 forcefield? Or, I have
> to use the polarizable force fields only.

This becomes a matter of semantics: if you add extra points to ff03, it would
no longer be "ff03". But one could certainly have non-polarizable force
fields with extra points.

That said, it is not easy in Amber to devise new types of extra-point
force fields. You pretty much have to study and understand the code that
implements extra points, then modify it to fit your needs.


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Received on Sun Jul 03 2011 - 10:00:03 PDT
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