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 - 09:00:03 PDT
