Restarting an alchemic FEP calculation

From: Giovanni Bellesia (
Date: Mon Jun 27 2011 - 09:32:25 CDT

Hi all,

an alchemic FEP calculation I was running stopped a couple of
lambda-steps from the end due to a power outage.
Is there a safe way to restart it and complete it making use of the
free energy data that I already have ?



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