AMBER: calibration of constant pH simulations

From: Lillian Chong <ltchong42.gmail.com>
Date: Wed, 30 Apr 2008 13:17:47 -0400

Dear Amber Users,

I have a question about the constant pH simulations approach in AMBER
9. I would like to use ff99SB along with the igb=5 GB model for these
simulations. Has anyone calibrated the constant pH simulations
approach for use with this force field and water model?

If not, we would be happy to do it and make the parameters available.

Best,
Lillian 

-- 
Lillian T. Chong
Assistant Professor
Department of Chemistry
University of Pittsburgh
219 Parkman Avenue
Pittsburgh, PA 15260
(412) 624-6026
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Received on Sun May 04 2008 - 06:07:12 PDT
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