[gmx-users] restoration of crashed simulation

Mark Abraham Mark.Abraham at anu.edu.au
Mon Nov 28 13:53:58 CET 2011


On 28/11/2011 11:46 PM, 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

Mark



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