[gmx-users] how to restart the simulation

Justin A. Lemkul jalemkul at vt.edu
Tue Sep 21 13:18:51 CEST 2010

abdul wadood wrote:
> Dear GMX users
> I was run md simulation of 5000000 steps. But, unfortunately the 
> computer was shutdown before the completion of the Job.
> The simulation was run upto 488200 step. Now, I want to rerun the job 
> from this state.
> Kindly, help me in this regards how to rerun the job from the step where 
> it was stop.



> Many regards
> Abdul Wadood,
> Research Scholar,
> Dr.Panjwani Center for Molecular Medicine and
> Drug Research,
> International Center for Chemical and
> Biological Science,
> University of Karachi, Karachi-75720, Pakistan.
> Email:wadoodbiochemist at hotmail.com


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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