Figure 2.

S-curves for the 100, 300, 500, T500 and TE500 water models described using the three energies given in Eqn. 1 ($E_{\mathrm{intra}}^{\mathrm{A}}$, $V_{\mathrm{cl}}^{\text{AA}\text{'}}$ and $V_{\mathrm{x}}^{\text{AA}\text{'}}$). The label “T” stands for the tighter scrubbing threshold of 0.00005 Hartrees, while “TE” stands for this tight model using single total atomic energies, $E_{\mathrm{IQA}}^{\mathrm{A}}$.