[gmx-users] how to restart the simulation

[Justin A. Lemkul]

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.

http://www.gromacs.org/Documentation/How-tos/Doing_Restarts

-Justin

> 
> 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
> 
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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