[gmx-users] au-protein separate minimization

2013-01-19 Thread fatemeh ramezani 
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?


Fatemeh Ramezani
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Re: [gmx-users] au-protein separate minimization

2013-01-19 Thread Justin Lemkul 



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

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Justin A. Lemkul, Ph.D.
Research Scientist
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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