[gmx-users] emstep unit

[Justin Lemkul]

On 9/21/13 2:47 PM, Atila Petrosian wrote:
> Dear Justin
>
> Thanks for your reply.
>
> Ok. You are right. There is no "time" during EM.
>
> For example, if I use nstep = 10,000 and emstep = 0.01,
>
> what means of Step size in this case, exactly?
>
> Please give me more explanation.
>

A quick Google search turns up useful information, and Wikipedia has a decent 
article.  Beyond that, it's a topic covered by just about every molecular 
modeling textbook out there.

-Justin

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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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