On Tue, Feb 15, 2011, Jose Borreguero wrote:
> In one of the EVB mapping input files, I refer to the parameter
> emap(:)%lambda (page 81 of Amber11 manual).
My bad--I never used what Kim calls the "mapping potential".
>
> I'm wondering if one could enter an initial and final values for this lambda
> parameter, so that the value of the parameter changes continously in the
> course of the simulation from the initial value to the final value.
Not without modifying the code. Note that if you do so, you would also have
to devise a strategy to recover the equilibrium distributions from such a
simulation.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Feb 15 2011 - 08:00:03 PST
