Replica Exchange

From: Dr. Eddie (
Date: Tue Jan 19 2016 - 10:35:00 CST

HI all,
This isn't a namd-only question but since RE is used by many namd users I'm
hopeing someone can point me to a good reference. I have a simple question:
Why is replica exchange more efficient than just heating a single system up
and then cooling it when it gets stuck (one could use the same criteria for
doing this as RE)?

More precisely, why is it more efficient to have N-replicas at different
temperatures rather than N-individual runs with different initial
conditions that are heated/cooled as needed to get over potential barriers?

I would appreciate any references or comments.
Thanks in advance,


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