[gmx-users] simulated annealing

[Justin A. Lemkul]

leila karami wrote:
> Hi gromacs users
>  
> I want to use simulated annealing. I have a question:
>  
> 1) in mdp file, T-couple = no.  is that true?
> 

No.  You need a thermostat to control the temperature of your system.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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