Table 3.

OPLS-AA and AMOEBA lattice potential energies for each compound (kcal/mol).

Compound	OPLS-AA			AMOEBA			Diff.
	Crystal	Vacuum	Lattice	Crystal	Vacuum	Lattice
Acetanilide	−28.73	−2.01	−26.72	−38.05	−15.32	−22.73	3.99
Paracetamol	−44.45	−10.12	−34.32	−41.04	−13.35	−27.70	6.63
Methyl Paraben	−23.58	−0.13	−23.45	−30.77	−8.48	−22.29	1.16
Ethyl Paraben	−24.33	0.78	−25.11	−28.56	−3.98	−24.58	0.53
Phenacetin	−37.49	−5.70	−31.80	−36.05	−9.92	−26.13	5.67
Mean			−28.28			−24.68	3.60