TABLE 2.

Results for SOD 1eso with heuristic and partly numerical estimates of reaction probability

	Heuristic		Partly numerical
wt ctl?	No	Yes	No	Yes
tstep(s)	5.50 × 10−6	6.91 × 10−6	5.59 × 10−6	6.83 × 10−6
	6.14 × 105	1.01 × 105	1.57 × 105	8.78 × 104
Ntrials	200,000	200,000	200,000	200,000
CPU(h)	187.8	38.9	48.7	33.3
EB	1.74 × 10−3	1.74 × 10−3	1.74 × 10−3	1.75 × 10−3
VarB	6.86 × 10−5	7.20 × 10−5	1.46 × 10−4	4.16 × 10−5
k(M−1s−1)	1.71 × 108	1.71 × 108	1.72 × 108	1.72 × 108
Δk(M−1s−1)	3.57 × 106	3.66 × 106	5.21 × 106	2.78 × 106
tmethod(h)	32.9	7.1	18.0	3.5