Re: [AMBER] (no subject)

From: Adrian Roitberg <>
Date: Wed, 01 Dec 2010 17:09:38 +0100

I am pretty sure there is no code like that in amber, but I would be
VERY interested in why you would do such a thing.


On 12/1/10 5:05 PM, case wrote:
> On Tue, Nov 30, 2010, Nilmeier, Jerome P. wrote:
>> I am interested in generating trajectories whereby an alchemical
>> potential is continuously altered over the course of the trajectory.
>> (Something like steered MD, but with lambda varying rather than a
>> biasing potential). Is there a straightforward way to do this?
> I'm pretty sure there is no current way to do this, unless Volodymyr stuck
> something in the ABMD stuff that I missed....
> ...dac
> _______________________________________________
> AMBER mailing list

                            Dr. Adrian E. Roitberg
                              Associate Professor
                Quantum Theory Project, Department of Chemistry
                            University of Florida
   Senior Editor. Journal of Physical Chemistry.
on Sabbatical in Barcelona until August 2011.
AMBER mailing list
Received on Wed Dec 01 2010 - 08:30:07 PST
Custom Search