[gmx-users] how to restart the simulation

abdul wadood wadoodbiochemist at hotmail.com
Tue Sep 21 12:59:29 CEST 2010


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 


 		 	   		  
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