[AMBER] how many cores should be used in MMPBSA.py.MPI calculations at most

From: Qinghua Liao <fantasticqhl.gmail.com>
Date: Mon, 12 Dec 2011 10:31:26 +0100

Dear amber users,

When doing mm/pbsa calculations using the python version, usually how many
cores should I use at most while it can be still efficient parallelisation?
Thanks very much!

Best Regards,

Qinghua
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Received on Mon Dec 12 2011 - 02:00:02 PST