[gmx-users] elevation the temperature
mark.j.abraham at gmail.com
Wed Oct 18 22:48:38 CEST 2017
You can use simulated annealing for this, but I wouldn't bother if all you
want is an equilibrated system at the end of the process.
On Wed, 18 Oct 2017 22:29 marzieh dehghan <dehghanmarzieh at gmail.com> wrote:
> Dear all
> I want to elevate the temperature of my simulation system with the rate of
> 1 K/ns, so I would like to know which parameter should be changed to
> elevate the temperature from 300 up to 450 K?
> thanks a lot
> best wishes
> *Marzieh DehghanPhD of BiochemistryInstitute of biochemistry and Biophysics
> (IBB)University of Tehran, Tehran- Iran.*
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