[gmx-users] simulated annealing

Justin A. Lemkul jalemkul at vt.edu
Wed Apr 21 13:03:06 CEST 2010

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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