Table 2.
Comparison of free energy values for cholesterol obtained from traditional and SDPI hybrid models of varying sized explicit regions. The values in parentheses represent the absolute error with respect to the value calculated from a full explicit solvent simulation (−32.70 ± .06 kJ∕mol). Values of Ri are only relevant for SDPI models.
| Domain radii Ro/Ri (nm) | Traditional | SDPI |
|---|---|---|
| 2.5 ∕ 1.5 | −34.51 (−1.81) ± 0.10 | −33.10 (−0.40) ± 0.09 |
| 2.0 ∕ 1.5 | −33.64 (−0.94) ± 0.09 | −32.38 (0.32) ± 0.12 |
| 1.5 ∕ 1.0 | −34.21 (−1.51) ± 0.10 | −32.48 (0.22) ± 0.12 |