[gmx-users] NVT error

Justin Lemkul jalemkul at vt.edu
Sun Aug 13 19:11:51 CEST 2017

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

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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