Table 2.

Summary of the a₁, a₂, b₁, b₂ parameters screened for villin simulations. Two independent 200ns simulations of each parameter set were run. The lowest RMSD is shown in the table. Folded simulations are highlighted in bold. Average values of total boost potential and dihedral boost potential are represented (kcal/mol).

System	(a1, a2; b1, b2)	RMSD	Total Boost Potential	Dihedral Boost Pot
Villin	3.5, 3.5; 0.15,0.15	3.729	33.71	6.72
	3.5, 3.5; 0.175,0.175	4.047	52.37	7.09
	3.5, 3.5; 0.20,0.20	3.212	76.61	6.29
	3.5, 3.5; 0.25,0.25	1.624	143.68	6.04
	3.5, 3.5; 0.30,0.30	0.524	239.05	5.99
	4.0, 4.0; 0.15, 0.15	3.548	33.65	10.18
	4.0, 4.0; 0.175, 0.175	3.272	52.21	8.78
	4.0, 4.0; 0.20, 0.20	3.456	76.29	8.52
	4.0, 4.0; 0.25, 0.25	0.684	143.01	8.36
	4.0, 4.0; 0.30, 0.30	0.914	238.06	8.00
	4.5, 4.5; 0.15, 0.15	4.741	33.34	12.94
	4.5, 4.5; 0.175, 0.175	4.564	51.85	11.68
	4.5, 4.5; 0.20, 0.20	2.874	76.08	12.45
	4.5, 4.5; 0.25, 0.25	3.934	142.85	11.41
	4.5, 4.5; 0.30, 0.30	3.688	237.26	9.88
	3.0, 3.0; 0.15,0.15	4.365	33.78	5.42
	3.0, 3.0; 0.175,0.175	6.305	59.78	4.78
	4.0, 4.0; 0.30, 0.175	3.578	154.75	6.75
	4.0, 4.0; 0.30, 0.20	3.635	172.79	7.57
	4.0, 4.0; 0.30, 0.25	2.176	207.05	7.25
	5.0, 5.0; 0.50, 0.50	4.811	931.67	10.45