On Tue, May 12, 2020, MYRIAN TORRES RICO wrote:
>
>
> 23/amber/16-at-17-patchlevel-10-15-cuda/bin/sander failed with
> prmtop smp-198ptn -dry.prmtop! >
Have you examined the mdout file from the sander run with the dry.prmtop
as input? That is likely to provide your first clue about what is going
on.
....dac
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Received on Tue May 12 2020 - 19:00:02 PDT
