Table 1.

Electrostatic and non-bond parameters for methanol and TIP4P-FQ water. Parameters for TIP4P-FQ are taken from Rick et al ³³(cross terms are not shown, and the reader is referred to the work of Rick et al for further details on the water potential). Methanol parameters are from the work of Patel and Brooks⁴¹, and ethanol parameters are from the work of Patel and Brooks⁴².

Molecule	Atom Type	εi (kcal/mol)	Rmin/2 (Å)	χ (kcal/mol)/e	1/2η (kcal/mol)/e2
Methanol	CT3	0.073	2.0	54.1403	117.769
	OH1	0.1601	1.73	101.776	150.625
	H	0.046	0.2245	0.0	253.4605
	HA3	0.026	1.2345	49.7344	245.697
TIP4P-FQ	OT	0.2862	1.7729	0.0	0.0
	OM	0.0	0.0	68.49	371.6
	HT	0.0	0.0	0.0	353.0