Table 1. Simulation times required for dissociation in trajectories calculated with the indicated α values.

	Time, ps
α, kcal/mol·Å4	I400	I800	I1,200
0.1	72.4	78.2	77.6
0.05	82.9	84.1	83.0
0.01	99.5	79.6	91.2
0.002	162.7	153.0	147.3
0.0005	509.8	404.0	314.2
0.0001		5024.0

Initial coordinates were taken from equilibrium simulation at 400-ps intervals.