Table 3.

Summary of the T_scale and ${\text{R}}_{\text{a}}^2$ values for each of the ϵ_stack∕ϵ_Hbond values and metrics examined in the study. Row 2 is depicted graphically in Fig. 5 and the center, bolded cell contains the optimal values utilized for the remainder of the investigation.

	Metric 1	Metric 2	Metric 3
$\frac{{ϵ}_{\text{stack}}}{{ϵ}_{\text{Hbond}}}=\frac{2.5}{1}$	Tscale=400	Tscale=430	Tscale=470
	${\text{R}}_{\text{a}}^2=0.399$	${\text{R}}_{\text{a}}^2=0.680$	${\text{R}}_{\text{a}}^2=0.635$
$\frac{{ϵ}_{\text{stack}}}{{ϵ}_{\text{Hbond}}}=\frac{5}{2}$	Tscale=205	Tscale=220	Tscale=280
	${\text{R}}_{\text{a}}^2=0.416$	${\text{R}}_{\text{a}}^2=\mathbf{0.998}$	${\text{R}}_{\text{a}}^2=0.775$
$\frac{{ϵ}_{\text{stack}}}{{ϵ}_{\text{Hbond}}}=\frac{10}{4}$	Tscale=170	Tscale=190	Tscale=200
	${\text{R}}_{\text{a}}^2=0.451$	${\text{R}}_{\text{a}}^2=0.712$	${\text{R}}_{\text{a}}^2=0.603$