[gmx-users] Restarting crashed run

Nidhi Katyal nidhikatyal1989 at gmail.com
Thu Dec 19 07:07:24 CET 2013


Dear gromacs users

I have a small query regarding restarting crashed run. If I have given
following command:
mdrun -s topol.tpr
i.e. without giving -cpi state.cpt , But my folder contains state.cpt, does
it automatically takes this input file from the folder?
Also, does the same thing holds true for extending simulations
(no crashed runs)?
Does this depends on version also (say from gromacs 4.0.7 till 4.6.3)?

Thanks in advance


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