How can I split an amber sander.MPI calculation in two steps (or more), the
first step being the input of the second step.
If a submitted MD calculation is interrupted after e.g. 12 hrs, what can be
done without starting all again? Is there a script to retake the
calculation from some specific point?
Thanks,
Bruno
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Received on Sat Aug 21 2021 - 09:00:02 PDT
