{
  "category": "molecular_dynamics",
  "benchmarks": [
    {
      "name": "MD_RMSD_AVG_NONNEGATIVE",
      "category": "molecular_dynamics",
      "description": "A finished MD simulation reports a non-negative average backbone RMSD.",
      "input": {
        "dataset": "simulation result",
        "engine": "OpenMM"
      },
      "section": "md",
      "expected_output": {
        "rmsd_avg_angstrom": {"min": 0}
      },
      "tolerance": {},
      "ground_truth": "Physically, a structure cannot deviate by a negative distance from its reference frame.",
      "citation": "Eastman P, et al. OpenMM 8. J Phys Chem B 2024.",
      "source": "OpenMM",
      "stage": "curated",
      "difficulty": "easy",
      "version": 1
    }
  ]
}