. 2023 May 9;127(19):9236–9247. doi: 10.1021/acs.jpcc.2c08988

Table 2. Comparison of Static Dielectric Constant (ε_r) for the Different Water Models in Their Rigid and Flexible Version^a.

ε_r	TIP3P-FB	TIP3Pm	TIP4P-Ew	TIP4P-FB	TIP4P/2005
RIGID	72.6 (71.6)	86.1 (90.3)	55.7 (59.4)	68.7 (72.0)	53.8 (53.5)
FLEXIBLE	100.3 (99.1)	115.0 (127.3)	65.7 (68.9)	81.1 (85.4)	59.8 (59.0)

The MD simulations were carried out for pure water in NVT ensemble at 303.15 K (EMD simulations in NPT ensemble at 303.15 K and 1.0 atm are shown in parenthesis).

Table 2. Comparison of Static Dielectric Constant (εr) for the Different Water Models in Their Rigid and Flexible Versiona.

Table 2. Comparison of Static Dielectric Constant (ε_r) for the Different Water Models in Their Rigid and Flexible Version^a.