Subject: WHAM programs for 1D PMF

From: Nilesh Banavali <[email-masked]>
Date: Mon, 22 Jan 2001 19:26:31 -0500 (EST)

Hi CCLers,

 Are there any stand-alone Weighted Histogram Analysis Method (WHAM)
programs available out there to calculate a one-dimensional
potential of mean force (PMF) given sampled values of a given reaction
coordinate obtained by a set of constrained MD simulations. The
program that I currently have access to is the one written by Bockzo and
Brooks. The purpose of this inquiry is for me to personally understand
empirically if the PMF calculated by different programs are different for
the same set of coordinate values and if so why. I guess they should
theoretically be the same, however, any help provided is
greatly appreciated. I will summarize the responses.

 Thanks,

 Nilesh.
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NILESH BANAVALI
GRADUATE STUDENT
UNIVERSITY OF MARYLAND, BALTIMORE
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