Re: minimization

From: Christopher Gillespie (gillescche_at_gmail.com)
Date: Thu Sep 25 2008 - 21:42:22 CDT

Jose,

Minimization is temperature independent. Since no molecules have
velocities there is no way to determine temperatures and therefore
temperatures are not necessary to define during minimization. Heating/
equilibration will require temperatures and those are dependent on
what your system needs are.

Best
Chris

On Sep 25, 2008, at 9:11 PM, jose correa wrote:

> Dear all
> I see that somebody carry out the protein minimization at 0, 300, 310
> K or other gays mention that this step is temperature-independent of
> the protein-membrane-water, according your experience, what is the
> most recomendable?.
> Best wishes
> Jose Correa
>

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