Re: [AMBER] REMD at constant pH

From: Adrian Roitberg <>
Date: Tue, 15 Feb 2011 14:34:29 +0100

Hi Sophia

If you want your replicas in temperature space, we can try to help you.
If you want your replicas to span pH-space, we just finished
implementing it in amber, but the code it still being debugged. Almost
surely we will release it for Amber 12.

Best Regards

On 2/15/11 2:30 PM, Cheng-I Lee wrote:
> Dear Amber users,
> I'm looking for a tutorial to run REMD at constant pH. Does anyone know any
> website that shows REMD simulation at constant pH?
> Thanks a lot!
> Best wishes,
> Sophia
> _______________________________________________
> AMBER mailing list

                            Dr. Adrian E. Roitberg
                              Associate Professor
                Quantum Theory Project, Department of Chemistry
                            University of Florida
on Sabbatical in Barcelona until August 2011.
AMBER mailing list
Received on Tue Feb 15 2011 - 06:00:04 PST
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