Table 4.

Summary of string simulations performed in this study. Simulations G2fr and G3fr were performed with REX (see text). For simulations G2f10 and G3f10, all force constants in the restraining potential in Eq. 16 were increased by a factor of 10, as described in the text. Simulation durations correspond to the different procedures associated with the particular type of simulation (see text for details).

Simulation index	CV set	Initial path	Number of images∕cells	Simulation duration (ns)
S1	CVS1	1	32	36
G1c	CVS1	1	32	20
F1	CVS1	1	32	30
S2	CVS2	1	32	40
G2c	CVS2	1	32	20
G2f	CVS2	1	128	15
G2fr	CVS2	1	128	20
G2f10	CVS2	1	128	15
F2	CVS2	1	32	40
S3	CVS2	2	32	49
G3c	CVS2	2	32	20
G3f	CVS2	2	128	15
G3fr	CVS2	2	128	20
G3f10	CVS2	2	128	15
F3	CVS2	2	32	30