[gmx-users] RE: diffusion constant level off

[Justin Lemkul]

On 3/28/13 7:56 PM, Dr. Vitaly Chaban wrote:
> The simplest advice is to increase sampling.
>

I think the OP needs to describe what the system is in greater detail.  For a 
simple liquid, I would opine that 200 ns is normally vast overkill.  For a 
membrane, it may not be enough.  There's just no way to say.

-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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