[gmx-users] checking simulation progress
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.
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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