{
  "pdb_file": "examples/data/kb_model_0_2.pdb",
  "ligand_smiles": "CS(=O)C",
  "protocol_repeats": 1,
  "ligand_in_pdb_file": true,
  "complex_prod_length": 0.1,
  "solvent_prod_length": 0.1,
  "complex_equil_length": 0.02,
  "solvent_equil_length": 0.02
}
