Table 3.

A comparison of AMOEBA ion solvation free energies using both FEP and OSRW protocols is presented. The AMOEBA/FEP, OPLS-AA and CHARMM27 results are taken from Grossfield et al.⁹¹ All values are in units of kcal/mol.

Method	Potassium	Sodium	K+ -> Na+	Chloride	KCl Salt	NaCl Salt
AMOEBA/OSRW	−71.7	−88.9	−17.2	−83.5	−155.3	−172.4
AMOEBA/FEP	−72.6	−89.9	−17.3	−84.6	−157.2	−174.5
OPLS-AA	−65.7	−83.9	−18.2	−85.3	−151.0	−169.2
CHARMM27	−70.3	−91.0	−20.7	−91.2	−161.5	−182.2
Schmid118	−69.3	−86.8	−17.5	−87.2	−156.5	−174.0
Friedman119	−80.8	−98.3	−17.5	−75.8	−156.6	−174.1
Tissandier120	−84.1	−101.3	−17.2	−72.7	−156.8	−174.0