Table 2. EMP Parameters of the Coarse-Grained Particles Defined in the Phenylalanine Dipeptide Model.

index of EMP site	charge	dipole	quadrupole
121	0.000	–1.463	2.001	–1.148	–0.014
		0.281	–1.148	–0.927	0.009
		–0.003	–0.014	0.009	–1.074
123	0.000	0.879	1.067	–1.148	0.138
		–0.437	–1.148	1.258	–0.128
		–0.024	0.138	–0.128	–2.325
493	0.000	0.879	1.067	–1.148	0.138
		–0.437	–1.148	1.258	–0.128
		–0.024	0.138	–0.128	–2.325
861	0.000	–1.463	2.001	–1.148	–0.014
		0.281	–1.148	–0.927	0.009
		–0.003	–0.014	0.009	–1.074
863	0.000	0.879	1.067	–1.148	0.138
		–0.437	–1.148	1.258	–0.128
		–0.024	0.138	–0.128	–2.325