Table 4.

The same as in Table 3 but for OPLS-AA/L force field.

	ΔE elec	ΔE vdw	ΔG sur	ΔG PB	−TΔS	ΔG bind
SPC	− 211.98 ± 0.105	− 21.93 ± 0.011	− 4.99 ± 0.002	155.68 ± 0.077	14.23	−68.99
SPC/E	− 212.69 ± 0.107	− 21.60 ± 0.011	− 5.03 ± 0.002	155.01 ± 0.080	14.93	−69.38
TIP3P	− 213.83 ± 0.105	− 22.01 ± 0.011	− 4.93 ± 0.002	160.32 ± 0.080	15.25	−65.20
TIP4P	− 208.64 ± 0.105	− 20.37 ± 0.011	− 4.98 ± 0.002	153.48 ± 0.077	16.26	−64.25