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

Luís Pereira luisp2005 at gmail.com
Mon Aug 8 22:45:16 CEST 2011

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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