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Date: Mon, 25 Jan 1999 12:15:57 -0800
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From: Djamal Bouzida <djb -A_T- Agouron.COM>
To: cheung %-% at %-% physics.ucsd.edu
CC: kynn%!at!%panix.com, chemistry%!at!%www.ccl.net
In-reply-to: <Pine.SOL.3.96.990125114203.10321B-100000 |-at-| physics> (message from
	Margaret Cheung on Mon, 25 Jan 1999 11:55:30 -0800 (PST))
Subject: Re: CCL:[Q] Histogram method
References:  <Pine.SOL.3.96.990125114203.10321B-100000(+ at +)physics>




KJ,

You're probably thinking single histogram method and you are right in your
assessment of a single run around the transition temperature .  However,
one can combine histogram data from multiple simulations as long as overlap
exists between the various histograms.  This is called the multiple
histogram method which was developed by Alan Ferrenberg and Robert
Swendsen, which was extended to biological systems by Kumar et al.

I'll be more than happy to dig out the various references for you.  Just
let me know.

Happy histogramming.

-- 
Djamal Bouzida, Ph.D.
Agouron Pharmaceuticals, Inc.