[gmx-users] simulation time

Mark Abraham Mark.Abraham at anu.edu.au
Sun Jun 17 07:45:52 CEST 2012

On 17/06/2012 2:43 PM, delara aghaie wrote:
> Deart Gromacs users
> I wanted to simulate a protein for 5 ns, but I have submitted the job 
> for 10 ns by mistake.
> what is the best way to stop the simulation after 5 ns???

Either kill it now and start again and do it right, or guess how long 
5ns will take, kill it then and deal with the fact that some of the 
files will have messy ends.

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