Table 2. Summary of the Parameters Assumed in the Different MD Trajectories.

system	replica	no. of atoms	num. of water mol.	counterions	simulation length (ns)
CyaY	1	23 754	7532	14 Na+	500
	2			8Cl– 8K+	500
	3				500
CyaY103	1	23 868	7411	15 Na+	1000
	2			8Cl– 8 K+
ET	1	23 779	7383	17 Na+	1000
	2			8Cl– 8K+	1000
	3				1000
EE	1	23 784	7384	18 Na+	1000
	2			8Cl– 8K+	1000
	3				500
EET	1	23 790	7386	18 Na+	1000
	2			8Cl– 8K+	1000
	3				1000