Dear Amber Developers,
Starting from Amber22 and then in Amber23 both Run.pmemd.sh and
Run.sander.sh in $AMBERHOME/test/nfe/bbmd report possible failures.
While some of them could be considered as the round-off errors, it's not
so clear with the others. The possible failures are persistent on
different platforms using different compilers.
Could you clarify this issue?
Thanks,
Vlad
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Received on Wed Sep 20 2023 - 19:30:02 PDT
