[gmx-users] checking simulation progress

Justin Lemkul jalemkul at vt.edu
Tue Oct 3 18:29:41 CEST 2017

On 10/3/17 12:03 PM, Bukunmi Akinwunmi wrote:
> dear gmx-users,
> my simulation has been running for sometime but now I want to know how long is left for the simulation to be completed. I need help with the command to analyse a running simulation.

The -v option of mdrun prints a running estimate of time remaining, but if you 
didn't use it then it's no use to you during an ongoing run. Otherwise, just use 
tail on the .log file to see how far along things are.



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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