Sampling schemes with FEP

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

Hi

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

According to Dr. Chipot (http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/13813.html)
one can use both SOS and BAR estimators with the later being more accurate.

Is this indeed the case?

Many thanks.
George

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