. Author manuscript; available in PMC: 2018 Jun 15.

Published in final edited form as: J Comput Chem. 2017 Feb 4;38(16):1308–1320. doi: 10.1002/jcc.24691

Table 1.

HDGBvdW model parameters. Lennard-Jones parameters, ε and σ, and offset values, R_j for the DPPC atom types and water oxygen used for the dispersion term in the HDGBvdW model.

Atom type	ε (kcal/mol)	σ (Å)	R_i (Å)
Lipid H	−0.0307	1.2200	1.5
Lipid C	−0.0680	2.0350	2.2
Lipid C2	−0.0570	2.0190	2.2
Lipid O	−0.1100	1.6750	1.5
Water O	−0.1520	1.7700	1.4