[AMBER] parallel pysander?

From: liu junjun via AMBER <amber.ambermd.org>
Date: Fri, 17 Feb 2023 00:37:28 +0800

Hi,

Is it possible to run pysander with MPI, so that energy/gradient
calculations could make use of multiple cores?

Thanks!

Junjun
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Received on Thu Feb 16 2023 - 09:00:03 PST