[gmx-users] Diffusion Coefficient

Justin A. Lemkul jalemkul at vt.edu
Fri Mar 4 19:41:36 CET 2011

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.


> Thank you
> Lin


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


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