TABLE 9.

The contributions for the free energies of detainment (see Eq. 5)

	PB calculation*
	ɛ = 4	ɛ = 10	ɛ = 20	ɛ = 40	DDSF†	TΔSt, ion	ΔGb‡
Na+	−10.0	−3.6	−1.7	−1.1	−7.2	2.5	−0.55
Cl−	−18.9	−7.2	−3.5	−2.2	−8.3	2.1	−1.26

^*Calculated by Eq. 1.

^†Calculated by Eq. 2.

^‡Reference energy, calculated throughout the 10-ns simulation using Eq. 5.

The energies are presented in kcal mol⁻¹; ɛ is the dielectric constant as used for the calculation of ΔG_el (see Methods).