Table 4.

Table listing the slopes and correlation coefficient (r) as well as the ΔΔG_elec RMSD for the various pairs of force fields. The values pertain to calculations without any minimization (TOP panel) as well as after 500 steps of minimization (BOTTOM panel). In each panel, the corresponding values are listed for the two dielectric assignment methods – TRADITIONAL (2-dielectric model) and GAUSSIAN.

Before Minimization
	Slopes		Correlations		RMSD (kcal/mol)
	TRADITIONAL	GAUSSIAN	TRADITIONAL	GAUSSIAN	TRADITIONAL	GAUSSIAN
CHARMM vs. AMBER	1.05	0.78	0.819	0.729	40.71	88.89
CHARMM vs. OPLSAA	1.07	0.43	0.815	0.731	43.18	92.93
AMBER vs. OPLSAA	1.00	0.54	0.978	0.988	15.47	81.10
After Minimization for 500 steps
	Slopes		Correlations		RMSD (kcal/mol)
	TRADITIONAL	GAUSSIAN	TRADITIONAL	GAUSSIAN	TRADITIONAL	GAUSSIAN
CHARMM vs. AMBER	1.30	0.76	0.776	0.737	50.81	78.28
CHARMM vs. OPLSAA	0.91	0.53	0.800	0.736	27.06	77.07
AMBER vs. OPLSAA	0.62	0.69	0.908	0.983	40.51	49.66