From: Gareth Shannon (
Date: Tue Dec 11 2012 - 12:08:21 CST

Hi all,

May I ask if anyone has ever performed replica exchange with solute tempering (REST) (Pu Liu, Byungchan Kim, Richard A. Friesner, B. J. Berne. Proceedings of the National Academy of Sciences of the United States of America, Vol. 102, No. 39. (2005)) or replica exchange statistical temperature molecular dynamics (RESTMD)(Jaegil Kim, John E. Straub and Tom Keyes. The Journal of Physical Chemistry B. 116 (2012)) in NAMD?

Many thanks,

Gareth Shannon

NASA Assistant Specialist

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