AMBER Archive (2005)

Subject: Re: AMBER: langevin, GB and simulated annealing - 5

From: David A. Case (case_at_scripps.edu)
Date: Mon May 09 2005 - 18:18:04 CDT


On Mon, May 09, 2005, pascal.baillod_at_epfl.ch wrote:
>
> I suppose simulated annealing could be performed by slowly varying the
> temperature of the gaussian distribution yielding the random collision
> force? But I think that is not implemented, as my simulated annealing
> input file, that works fine for Berendsen thermostat md, doesn't work for a
> langevin thermostat md.

Have you applied bugfix.25?

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu