Table 2.

Watson-Crick pairing percentages of the central dimer in MD simulations. Percentages are obtained as the ratio of frames with correct Watson-Crick pairing at the central dimer, as measured by the 3DNA program, to the total number of trajectory frames. They are calculated for all frames as well as over subsets corresponding to each of the 10 unique dimer steps.

FF Solv.	parmbsc0					all27
	GBhct	GBobc1	GBobc2	GBn	GBMV	GBhct	GBobc1	GBobc2	GBn	GBMV
all	99.73	99.72	99.89	14.99	99.99	99.42	98.66	99.34	7.95	99.70
AA	99.38	99.76	99.95	4.58	100.00	99.92	99.27	99.71	4.60	99.99
AT	99.95	99.76	99.96	4.15	100.00	99.91	98.78	99.57	4.40	99.92
AG	99.83	99.79	99.87	12.21	99.99	99.56	99.03	99.49	8.56	99.61
AC	99.79	99.60	99.89	12.75	100.00	99.22	98.13	98.99	6.89	99.11
TA	99.63	99.70	99.99	3.29	100.00	99.57	99.29	99.54	4.92	99.73
TG	99.69	99.67	99.77	11.70	99.99	99.50	98.70	99.47	8.19	99.68
TC	99.90	99.78	99.85	11.69	99.99	99.61	99.14	99.67	7.18	99.98
GG	99.74	99.73	99.86	33.50	99.95	98.52	97.40	98.61	10.21	99.39
GC	99.88	99.86	99.97	27.41	99.99	99.33	98.86	99.40	14.32	99.89
CG	99.50	99.58	99.83	30.76	99.99	99.18	98.21	99.01	11.42	99.96