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Average CPU times (in seconds) used in setting up the dielectric grid for 100 snapshots in the MMPBSA calculation of the receptor. The membrane-free set up was run using memopt=0, and the membrane setup was run using memopt=1 in Amber/PBSA.
| Globular Protein Setup | Membrane Protein Setup | |
|---|---|---|
| SES Calculations (s) | 3.76 | 15.63 |
| Grid Labeling (s) | 1.61 | 4.79 |
| EPS Mapping (s) | 0.21 | 0.22 |
