[gmx-users] au-protein separate minimization

Justin Lemkul jalemkul at vt.edu
Sat Jan 19 13:14:47 CET 2013

On 1/19/13 7:11 AM, fatemeh ramezani wrote:
> Dr. Justin
> I want to do energy minimization of AU and Protein in separate steps and in last emails you said a way for this, is freezing of them. Then I decide to freeze AU and minimize Protein and in next step vise versa. I'm wrong?

You can certainly do that if you have a justifiable reason to.  There's nothing 
wrong with that, I just don't understand the point.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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