From: Jerome Henin (jhenin_at_vitae.cmm.upenn.edu)
Date: Fri Jul 28 2006 - 14:13:40 CDT
Hi folks,
We have prepared a new, totally revamped version of the alchemical FEP
tutorial. The first version was pretty theoretical, not really a hands-on
thing. With this one, it should be much easier to actually run the
calculations and see what happens.
Before we release it officially, we would really appreciate to have people
look at it, try it and tell us if they see problems with it. Is something
missing? Not clearly explained? All feedback is welcome.
The files are on the NAMD public project on BioCoRE. To get them, if you don't
have a BioCoRE account yet, open one at:
http://www.ks.uiuc.edu/Research/biocore/
Then, join the NAMD project, and browse the BioFS, or use this link (probably
cut into pieces by my mailer, though):
https://biocore-s.ks.uiuc.edu/biocore/secure/biofs/biofs.do?directory=/NAMD%20
(Public)/FEP_tutorial/
Looking forward to reading your feedback,
Jerome
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