Table 2.

Free energy information of four minima of sucrose in pure water at T = 283K from the 100 normal MD simulation and the 25 ns ABMD simulation resepectively.

	ABMD	Normal MD
positions (φ,ψ) (in degree)
M1	(104.5, 306.1)	(104.1, 305.4)
M2	(69.7, 283.3)	(71.2, 285.8)
M3	(88.5, 195.9)	(85.8, 194.9)
M4	(92.9, 54.3)	(84,4, 35.5)
heights (in KCal/mol)
F1	0.0	0.0
F2	0.3	0.5
F3	2.9	2.3
F4	1.4	1.8
probabilities within a radius of 20 degree
P1	0.557	0.606
P2	0.241	0.365
P3	0.003	0.008
P4	0.018	0.022
barriers between minima (in KCal/mol)
B12	0.6	0.6
B23	3.8	3.0
B14	2.5	2.4