Hello Lin,
I never calculated diffusion coefficient, but I want to calculate it.
Would you mind to give me clue or script in ptraj, how to measure diffusion
coeffisient ?
Thank you Lin
regards
setyanto
On Sat, Mar 5, 2011 at 12:41 AM, Chih-Ying Lin <chihying.usc.edu> 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?
>
> Thank you
> Lin
>
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Received on Tue Mar 08 2011 - 21:00:02 PST
