[AMBER] Restart interrupted sander.MPI calculation

From: Bruno Cramer <bruno.cramer.gmail.com>
Date: Sat, 21 Aug 2021 12:36:53 -0300

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?
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Received on Sat Aug 21 2021 - 09:00:02 PDT
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