Molecular Dynamics Study of the Factors Influencing the β-Cyclodextrin Inclusion Complex Formation of the Isomers of Linear Molecules

Table 1

Parameters employed in the molecular dynamics simulation.

σ (Å)	(kcal/mol)	p
2.5	0.07	0.0
2.7	0.07	0.1
3.0	0.09	0.3
3.2	0.09	0.5
3.5	0.14	0.7
3.7	0.18	0.9
4.0	0.18	1.0