[gmx-users] Restarting Simulations

[Soumya Lipsa Rath]

Dear Gromacs Users,

I am trying to restart a simulation using the following command

gmx convert-tpr -s topol.tpr -nsteps 100000000 -o topol2.tpr

mdrun_mpi -s topol2.tpr -cpi state.cpt >& mdrun2_output.log

But it doesn't run even a single step. The last few lines read:

"starting mdrun 'Protein in water'
100000000 steps, 200000.0 ps (continuing from step 100000000, 200000.0 ps).

Writing final coordinates.

Back Off! I just backed up confout.gro to ./#confout.gro.3#"

topol.tpr is my previous tpr file and I am using Gromacs 5.0.7.
I would be obliged if I can get some suggestions.

Thanks,
Soumya