On Thu, Jun 30, 2011, tsurma.umich.edu 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.
...dac
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Received on Sun Jul 03 2011 - 10:00:03 PDT
