[gmx-users] Restart a simulation from a power source failure

[Luís Pereira]

Hi all,

I'm trying to restart a simulation from a power source failure, but mdrun
complains about a missing .trr file:

Program mdrun, VERSION 4.0.7
> Source code file: ../../../../src/gmxlib/gmxfio.c, line: 737
>
> Can not open file:
> traj.trr
>
>
The manual says that there is no need to supply more information than:

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

Do I have to write all the output files in the above command line? Or there
was something wrong when gromacs wrote the checkpoint file?

Any help is appreciated.

Thanks in advance,

Luís Pereira
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