[gmx-users] simulation time
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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