. Author manuscript; available in PMC: 2013 Jan 10.

Published in final edited form as: J Chem Theory Comput. 2012 Jan 10;8(1):348–362. doi: 10.1021/ct200723y

Table 4.

Population of the BI and BII states for the EcoR1 dodecamer and BDJ025 over the full oligonucleotides for all parameter sets tested.

Parameter Set	EcoRI		BDJ025
	BI	BII	BI	BII
C27	0.89	0.11	0.83	0.17
C27_1	0.75	0.25	0.67	0.33
C27_2	0.72	0.28	0.60	0.40
C27_2b	0.74	0.26	0.62	0.38
C27_3	0.70	0.30	0.59	0.41
C27_3b	0.79	0.21	0.65	0.35

Results obtained over 40 ns or 80 ns simulations for EcoR1 and BDJ025, respectively, with the average over all the ε,ζ, pairs for EcoRI and with BDJ025 the average populations were obtained for each nucleotide with the presented values being the average of those values .