PBSA in Amber12 supports membrane protein calculations, so you should be
able to use it for your MMPBSA calculations at least with PB in Amber12.
Again, as Dave have been saying repeatedly, please make sure you know how
to do this by hand before going with any scripts. I fully agree with Dave
this is the right way to go with any new methods.
Ray
On Tue, Jun 26, 2012 at 4:11 PM, houcemeddine othman <
houcemeddine.othman.pasteur.rns.tn> wrote:
> Hi everyone,
> Does the GB solvation model in AMBER is able to simulate an implicit
> membrane environment like those of CHARMM (IMMI, GBSA-IM). I have searched
> the reference manual of AMBER12 but i couldn't find anything about that.
> What is the best practice in AMBER to study the binding of peptides to
> membrane proteins with MM-PBSA while reducing the computational resources?
>
> best regards
>
> Houceeddine OTHMAN
>
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Received on Tue Jun 26 2012 - 17:00:03 PDT
