Sounds like you want to do pairwise decomposition analysis using MMPBSA.
-Bill
On Wed, Mar 9, 2011 at 9:26 AM, Eliac Brown <eliacbrown.yahoo.com> wrote:
> Dear AMBER
> My inhibitor binds to a couple amino-acids in the active site, I want to
> split the binding energy of the inhibitor to each residue, what option do I
> have, is there a method implemented in AMBER?
> Give me just a hint
> Thanks in advance
> Eliac
>
>
>
>
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--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Wed Mar 09 2011 - 07:00:05 PST
