[gmx-users] Restarting crashed run

jkrieger at mrc-lmb.cam.ac.uk jkrieger at mrc-lmb.cam.ac.uk
Thu Dec 19 13:33:14 CET 2013


You do need to give -cpi state.cpt

It is not part of the default set.

> 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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