[gmx-users] Simulated Annealing

[Martina Bertsch, PhD]

Greetings, Christoph.

A series of papers describing "constrained simulated annealing" of GPCRs 
by the Ciarkowski group from Gdansk, Poland, was published in Acta 
Biochimica Polonica. There is also their paper in the Journal of 
Computer-Aided Molecular Design (2001) 15: 1085-1104.

Martina Bertsch, Ph.D.

Dr. Christoph Freudenberger wrote:

>
>> In the past, I used a simple SA cooling from 600 to 0 K in 1 ns (see 
>> enclosed mdp), but the papers suggest that a more gradual cooling is 
>> preferred.
>
> Which papers are you referencing, actually?
>