[gmx-users] Diffusion Coefficient

[Justin A. Lemkul]

Chih-Ying Lin wrote:
> 
> 
> Hi
> I calculated the diffusion coefficient for lysozyme and get ~4x1e-6 (cm2/s)
> But, the experimental data is around 1x1e-6 (cm2/s).
> How could I explain for this discrepency?
> 

If the simulation is based off of a simulation of a single lysozyme protein in 
water, I'd be amazed at such good agreement.

-Justin

> Thank you
> Lin
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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