[AMBER-Developers] More on MBAR problems with pmemd.MPI

From: David A Case <david.case.rutgers.edu>
Date: Thu, 22 Oct 2020 15:25:38 -0400

For those who are not following gitlab: there is more information about
MBAR problems in Amber18/Amber20 here:


Please try to look at this if you have any familiarity with the MBAR
code. I'm hoping there will be some easy fix; note that Amber16 seems
OK, so diffs between Amber16 and Amber18 might be a good place to start.


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Received on Thu Oct 22 2020 - 12:30:02 PDT
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