Sampling schemes with FEP

From: Patargias, George (
Date: Thu Oct 20 2011 - 08:13:19 CDT


I just wanted to ask what is the state-of-the-art FEP sampling strategy
with NAMD.

According to Dr. Chipot (
one can use both SOS and BAR estimators with the later being more accurate.

Is this indeed the case?

Many thanks.

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