[gmx-users] Temperature in simulation

[Justin Lemkul]

On 10/3/12 9:57 AM, Shima Arasteh wrote:
> I see that the velocities will be reassigned, but what I'm concerned about, is reporting the results in a paper. How would it be?
>

That all depends on the answers to my previous questions, as well as the 
following: why did you simulate the protein in water prior to its insertion in a 
membrane?  There may be logical reasons to do this, but if it's a membrane 
protein and thus largely hydrophobic (I'm assuming), then why simulate it in 
water where it is likely to be unstable?

-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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