Re: [AMBER] suggestion of a patch for building MPI version of MMPBSA.py

From: David A Case <david.case.rutgers.edu>
Date: Sat, 6 Feb 2021 08:49:42 -0500

On Sat, Feb 06, 2021, Yoshitaka Moriwaki wrote:

>Thank you for your comment. I looked again at the parallelization of
>MMPBSA.py.MPI.

Thanks for you comments; I have passed them on to the author of the
MMPBSA.py package.

...dac


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Received on Sat Feb 06 2021 - 06:00:05 PST