Dear Dr. Case,
I thank you for your quick reply.
I tested MMPBSA.py and everything went well.
With my best regards,
Tommaso
________________________________
Da: David A Case <david.case.rutgers.edu>
Inviato: mercoledì 10 giugno 2020 17:31:25
A: AMBER Mailing List
Oggetto: Re: [AMBER] Python related problem running MMPBSA.py.MPI
On Wed, Jun 10, 2020, Casalini Tommaso wrote:
>
>I am trying to run a MMPBSA.py.MPI calculation.
>
>I am using the last AmberTools version and I have employed python 3.6.0
>version when I installed it (in other words, I have used the flag
>--with-python=path_to_my_python3.6).
Can you check if running short run with MMPBSA.py itself works or fails?
That would help isolate the problem.
...thx...dac
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Received on Wed Jun 10 2020 - 09:00:04 PDT
