[gmx-users] for continue the simulation

[Erik Lindahl]

xu yechun wrote:

> Dear all,
> Is there a way to continue a simulaiton when it was stopped
> abnormally? For example, the time in *.mdp is 500ps, but when it was
> stopped at 200ps because of full disk. How can continue the simulation
> at 200ps instead of restart from 0ps? 


Yes - it's described in detail in the FAQ. Check out:

http://www.gromacs.org/faq/index.php#recover

Cheers,

Erik