Table 1. Combinations of Switching Length N_switch in fs and Number of Switches (N_replicate) Studied^a.

	Nswitch [fs]	Nreplicate	blocksize	ttotal [ns]
NSWI200	200	8000	1000	1.6
NSWI500	500	3200	400	1.6
NSWI1000	1000	1600	200	1.6
NSWI2000	2000	800	100	1.6
NSWI2000red	2000	200	25	0.4

^aExcept for NSWI2000^red, in which a reduced subset of the NSWI2000 data was used, the cumulative length of all switching steps t_total is identical in all cases to keep computational cost constant. The column “blocksize” indicates the number of switches started from restart files saved during each of the eight equilibrium simulations carried out for each system.