. Author manuscript; available in PMC: 2014 Jan 1.

Published in final edited form as: J Chem Theory Comput. 2012 Oct 23;9(1):707–721. doi: 10.1021/ct300671y

Table 1.

Overview of the Simulations and Lifetimes of the WW and TT States

simulation code	simulation time (ns)	salt	ion parameters	water model	time in WW state (ns)	time in TT state (ns)	% in WW state	% in TT state
KCl_Dg	2400	150 mM KCl	Dang	SPC/E	265	381	11	16
KCl_JC	600	150 mM KCl	Joung and Cheatham	SPC/E	330	0	55	0
Na_—Bsc	1200	Na⁺	parm99	TIP3P	225	643	19	54