Resuming Runs

[beitom]

Apologies if the answer to this is already documented anywhere, but is it possible to resume runs, i see quickrun generates a checkpoint file in the shared directory, not sure exactly how i can use it in case of job failure.

├── root
│   ├── result.json (written at the end)
│   ├── scratch_RelativeHybridTopologyProtocolUnit-f2573e560cd74f6388229c6e91713883_attempt_0
│   └── shared_RelativeHybridTopologyProtocolUnit-f2573e560cd74f6388229c6e91713883_attempt_0
│       ├── checkpoint.chk
│       ├── db.json
│       ├── hybrid_system.pdb
│       ├── simulation.nc
│       └── simulation_real_time_analysis.yaml