| # Restore equivalent GROMACS nonbonded representations | |
| A molecular-simulation group is validating a historical OpenMM source snapshot | |
| with two small, benchmark-authored GROMACS models. The models encode the same | |
| two-particle Lennard-Jones interaction using two standard combination-rule | |
| representations. Both import successfully, but they produce incompatible | |
| potential energies on the same coordinates. | |
| Run the offline reproduction, inspect the complete synthetic inputs and source, | |
| and repair the importer so equivalent supported representations preserve the | |
| same physical model. The repair must generalize to other atom labels, parameter | |
| values, declaration orders, explicit pair terms, and supported combination | |
| rules. Do not hard-code the supplied files or replace computed values with | |
| constants. | |