All,
I mentioned that I had generated an HO van der Waals for highly charged
systems during this year's AMBER Developers Meeting. If people are
interested in the value that I've obtained then here it is:
MOD4 RE
HO 0.2000 0.0300 M.B. Tessier 2011
This value was fit to contribute no significant van der Waals attraction to
a Methanol-Methanol H-bond while including enough repulsion to prevent a
collapse in implicit solvated Iduronic Acid. Please contact me if you need
specific details on my fitting.
Matthew B. Tessier
Complex Carbohydrate Research Center
University of Georgia
+1 (706) 542-3508
mbt3911.uga.edu
matthew.tessier.gmail.com
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Received on Wed Oct 05 2011 - 11:00:02 PDT
