Hi,
It should not be a problem, if you are using the perl version you will
have to increase the max number of atoms in the the make_crd_hg.f to
accommodate your system and then recompile. I believe that this is the only
change you will have to make, others may chime in, if I missed any other
places you might have to change. If you plan on using the python version of
MMPBSA it should work just fine and no changes are needed.
On Tue, Sep 21, 2010 at 11:38 AM, <marta.gomes.fc.up.pt> wrote:
> Dear Amber users,
>
> Could you please tell me if it is possible to perform an MM-PBSA
> analysis with AMBER9 on a protein ligand complex with 32000 atoms. I
> read that MM-PBSA analysis, by default, is only possible for proteins
> with less than 10000 atoms.
> Thank you very much.
> Kind regards,
> Marta Gomes
>
>
>
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>
--
T. Dwight McGee Jr.
Quantum Theory Project
University of Florida
Graduate Student
dwight.mcgee.gmail.com
"Problems cannot be solved at the same level of awareness that created
them."
Albert Einstein
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Received on Tue Sep 21 2010 - 09:30:03 PDT
