David,
Just for your information, Erik and I are writing this up in the context
of free energy calculations. We could probably upload a draft to arXiv.
Please do! This is something we're very interested in; if there is
some way to properly handle these right now, we will probably use it.
Thanks!
David
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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