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Performance of simulating proteins in explicit solvent. All simulations were 100 ps (50,000 time steps) long. See the text for descriptions of the systems.
| Protein | Total Atoms | Protein Atoms | Computation Time (sec) | ns/day |
|---|---|---|---|---|
| villin | 8867 | 582 | 216 | 40 |
| lambda | 16437 | 1254 | 418 | 21 |
| α-spectrin | 73886 | 5078 | 1733 | 5.0 |
| peptide in membrane | 77373 | 834 (+26000 lipid atoms) | 2145 | 4.0 |
