TABLE 5.

Comparison of total energy obtained from simulation with predicted energy calculated from reference energies in Table 4 using the nearest-neighbor analysis

Basepairs	% GC	Topology	Total energy (kcal/mol)	Predicted energy (kcal/mol)	Difference (kcal/mol)	% Difference
70	42.85	B-DNA	−27436.04	−27115.8	−320.27	1.17
86	44.18	A-DNA	−33251.41	−33387.9	136.51	0.41
92	39.13	B-DNA	−31920.4	−32112.5	192.08	0.6
98	48.97	Z-DNA	−33057.76	−33039	−18.8	0.06