If you are using AmberTools 1.5 + Amber11, then you need to build
AmberTools 1.5 in parallel to get MMPBSA.MPI.
Also note that for AmberTools 1.5 (only), MMPBSA.py and MMPBSA.py.MPI are
accessed through shell scripts MMPBSA and MMPBSA.MPI, respectively.
HTH,
Jason
On Mon, Nov 14, 2011 at 3:54 PM, Qinghua Liao <fantasticqhl.gmail.com>wrote:
> Dear Amber users,
>
> I just find that I don't have the parallel version of MMPBSA.py after
> building the parallel version of amber successfully. I check the
> $AMBERHOME/bin, I have sander.MPI and pmemd.MPI, but I don't have
> MMPBSA.py.MPI, even don't get MMPBSA.py, I only get MMPBSA. So how can I
> get the parallel version of MMPBSA.py, MMPBSA.py.MPI. Thanks very much!
>
>
> Best Regards,
>
> Qinghua
> Ph.D. student
> Juelich Research Center
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Nov 14 2011 - 15:00:05 PST
