Re: AMBER: Constant pH dynamics

From: Adrian Roitberg <roitberg.qtp.ufl.edu>
Date: Tue, 09 Dec 2008 11:24:17 -0500

Dear John,
Indeed, this is possible.
Take a look under 'tests' in the amber directory. There is also a good
amount of information in the manual.
Adrian


Beale, John wrote:
> Can someone tell me how to set up and run dynamics at constant pH? Is it
> possible to set the pH to some arbitrary value? I looked in the archive
> and found no information about this.
>
>
>
> John
>
>
>
>
>
> 

-- 
                            Dr. Adrian E. Roitberg
                              Associate Professor
                             Quantum Theory Project
                            Department of Chemistry
                  Senior Editor. Journal of Physical Chemistry
                           American Chemical Society
University of Florida                         PHONE 352 392-6972
P.O. Box 118435                               FAX   352 392-8722
Gainesville, FL 32611-8435                    Email adrian.qtp.ufl.edu
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Received on Wed Dec 10 2008 - 01:20:54 PST
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