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The speed of the three Nutmeg models simulating molecules with 25, 50, or 100 atoms. Simulations used a 1 fs time step and were run on an NVIDIA RTX 4080 GPU.
| Step Time (ms) | Speed (ns/day) | |||||
|---|---|---|---|---|---|---|
| Atoms | Small | Medium | Large | Small | Medium | Large |
| 25 | 6.5 | 6.5 | 9.0 | 13.30 | 13.23 | 9.60 |
| 50 | 6.9 | 9.1 | 13.8 | 12.49 | 9.54 | 6.27 |
| 100 | 13.3 | 23.8 | 38.0 | 6.50 | 3.63 | 2.28 |
