Is $AMBERHOME/bin (I am assuming this is the /bin you are talking about) in
your $PATH? What is the result of typing `which MMPBSA.py` or `which
MMPBSA.py.MPI`?
-Bill
On Fri, Dec 17, 2010 at 10:37 AM, George Tzotzos <gtzotzos.me.com> wrote:
> Hi everybody,
>
> I'm using amber11-parallel.
>
> My /bin directory contains MMPBSA.py but not MMPBSA.py.MPI
>
> Trying to run mpirun -np 4 MMPBSA.py.MPI etc. aborts as the MMPBSA.py.MPI
> executable cannot be found.
>
> Am I missing something?
>
> Your help will be greatly appreciated. Thanks in advance
>
> George
>
>
>
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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 Fri Dec 17 2010 - 08:30:03 PST
