Thank You Dac.
~Surma
On Sun, 3 Jul 2011 12:59:17 -0400, case <case.biomaps.rutgers.edu> wrote:
> 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 Wed Jul 06 2011 - 21:30:03 PDT
