Table 7. Global accumulated root mean square deviations (RMSd; first row in each cell) and mean signed error (MSE; second row in each cell) forthe six inter base-pair parameters (translations and rotations)^adetermined from MD simulations and those obtained from the same sequences using NMR-restrained ensembles^b.

Seq/FF	BSC1	BSC0	BSC0OL1	BSC0OL1+OL4	BSC0OL15	CG	C36
DDD	0.34	1.07	0.99	0.52	0.42	0.65	1.29
	0.00	0.26	0.26	0.06	0.06	−0.24	0.08
SEQ2	0.37	0.80	0.49	0.55	0.44	0.68	1.05
	−0.02	0.00	−0.09	−0.05	−0.01	−0.31	−0.13
SEQ3	0.39	0.84	0.65	1.02	0.57	0.71	1.11
	−0.02	−0.05	−0.09	0.06	0.04	−0.24	-0.17

^aWe used the normalization between translational and rotational parameters proposed by Lankas and coworkers (57).

^bValues considered here are the average of BSC0_OL15-NOE and BSC1-NOE simulations.