[gmx-users] restarting simulation

Gavin Melaugh gmelaugh01 at qub.ac.uk
Fri Jun 11 15:30:19 CEST 2010

Hi all

For restarting a crashed simulation, do you have to use the -s topol.tpr
in the command below. I have left it out and everything seems to be O.K.
I'm just double checking though.

mdrun -s topol.tpr -cpi state.cpt -append

More information about the gromacs.org_gmx-users mailing list