[gmx-users] restoration of crashed simulation

[Justin A. Lemkul]

Saba Ferdous wrote:
> Dear Justin, 
> 
> I have been simulation a protein complex on 10ns. about 
> 4100,000/5000,000 of nsteps had been completed that my system got off 
> due to electric cut-off. 
> Now I want to resume this simulation. Is it possible to resume from the 
> step it got ceased. 
> Can you please tell me the proper command for the restoration?
>  As this simulation was running since 6 days and I cant afford to 
> restart it from the beginning....:(
> 
> Kindly tell me the full command to get it start from where it was stopped.
> 

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

-Justin

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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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