From:	kynn -8 at 8- panix.com
Date:	Thu, 11 Nov 1999 12:56:26 -0500 (EST)
Subject:	Umbrella sampling: where are the technical details?

Hi!  I'm gearing up to do several umbrella sampling studies using a
simple ("minimalist") model of protein-like folding.  I've never done
this sort of thing, and though I understand the theory behind it well
enough, but it would save me a lot of trial-and-error to read a
technical review of umbrella sampling addressing technical details
like the choice of parameters such as bin width(s), temperatures, and
relative strength of the various coupling constants for the
restraining potentials (I need at least two reaction coordinates, with
corresponding restraining potentials; I'll use a histogramming
technique to combine data produced at different temperatures).  A
review that also addressed issues specific to the study of
protein-like folding would be ideal, but this is perhaps too much to
ask.

Anyway, if anyone knows of such a review, please let me know of it.
I'll post a summary of responses.

Thanks!

Kynn Jones

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