[AMBER] strategies to terminate and continue a MD run

From: Yun Shi <yunshi09.gmail.com>
Date: Wed, 17 Aug 2011 09:03:41 -0700

Hi all,

There is a walltime limit on the clusters I am using, which means I cannot
finish a 10ns or 100ns MD simulation within the time limit.

How could I terminate my MD job gracefully within 24 hours? In other words,
what should I do to continue from the previous part of simulation?

Any help is appreciated!

Yun Shi
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Received on Wed Aug 17 2011 - 09:30:02 PDT
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