Table 3. Final monomer rmsd measurements after 100ns of dynamics.
Monomer RMSD (Å) | ||||
---|---|---|---|---|
Water Model | FF99SB | FF03 | CHARMM22 | OPLS |
SPC/E | 0.61 ± 0.06 | 0.82 ± 0.14 | 0.85 ± 0.10 | 1.22 ± 0.18 |
TIP3P | 0.59 ± 0.07 | 0.92 ± 0.11 | 0.91 ± 0.14 | 1.39 ± 0.22 |
TIP3P-Ew | 0.57 ± 0.04 | 0.86 ± 0.15 | 0.82 ± 0.11 | 1.28 ± 0.28 |
TIP4P-2005 | 0.66 ± 0.11 | 0.86 ± 0.11 | 0.91 ± 0.10 | 1.17 ± 0.20 |