AMBER Archive (2008)

Subject: Re: AMBER: Constant pH dynamics

From: Adrian Roitberg (
Date: Tue Dec 09 2008 - 10:24:17 CST

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.

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 ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to To unsubscribe, send "unsubscribe amber" (in the *body* of the email) to