[gmx-users] NVT error

[Justin Lemkul]

On 8/13/17 12:45 PM, Faez Iqbal Khan wrote:
> Hi
> I am running MD simulation of Pro-Lig complex using protocol provided by Justin 
> Lemkul. 
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/complex/06_equil.html 
> <https://www.researchgate.net/deref/http%3A%2F%2Fwww.bevanlab.biochem.vt.edu%2FPages%2FPersonal%2Fjustin%2Fgmx-tutorials%2Fcomplex%2F06_equil.html>
> 
> I am getting error at NVT stage.
> 
> I am attaching my log files. Please suggest. Many many Thanks

I don't see any error message, it just looks like your run hung.  Talk to your 
system administrator about proper usage and/or compilation.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
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jalemkul at vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

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