Table 2B.

Folding of chignolin in 20 NTP MD simulations at 300 K using FF12MCstdm.

Time step (fssmt)	Aggregated simulation time (μssmt)	Aggregated native state population (%)			Estimated folding time (nssmt)
		Mean	SD	SE	Mean	LCL	UCL	Event
3.16	0.632	3	8	2	–	–	–	4
3.16	1.264	8	17	4	–	–	–	10
3.16	1.896	16	23	5	95	55	163	13
3.16	2.528	21	22	5	74	47	118	18
3.16	3.160	24	21	5	73	47	114	19
3.16	3.792	28	21	5	74	48	117	19
3.16	4.424	31	20	4	72	47	112	20
3.16	5.056	34	20	4	72	47	112	20
3.16	5.688	36	20	4	72	47	112	20
3.16	6.320	38	19	4	72	47	112	20
3.16	6.952	38	18	4	72	47	112	20
3.16	7.584	37	17	4	72	47	112	20
3.16	8.216	37	17	4	72	47	112	20
3.16	8.848	37	17	4	72	47	112	20
3.16	9.480	37	17	4	72	47	112	20
3.16	12.640	39	15	3	72	47	112	20
3.16	15.800	39	15	3	72	47	112	20
3.16	18.960	38	13	3	72	47	112	20
3.16	22.120	37	12	3	72	47	112	20
3.16	25.280	37	11	2	72	47	112	20
3.16	28.440	37	9	2	72	47	112	20
3.16	31.600	37	7	2	72	47	112	20

Aggregated native state population: number of conformations from 20 simulations with CαβRMSDs of ≤1.96 Å divided by number of all conformations from the 20 simulations. All MD simulations were performed for 500 million time steps with conditions described in Methods and Table S1. SD: Standard deviation. SE: Standard error. LCL: Lower 95% confidence limit. UCL: Upper 95% confidence limit. Event: number of simulations that captured a folding event.