Re: [AMBER] EVB with time-dependent coupling parameter?

From: case <>
Date: Tue, 15 Feb 2011 10:40:54 -0500

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


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Received on Tue Feb 15 2011 - 08:00:03 PST
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