. Author manuscript; available in PMC: 2012 Dec 1.

Published in final edited form as: J Comput Chem. 2011 Sep 7;32(16):3339–3353. doi: 10.1002/jcc.21873

TABLE III.

Nonbond Parameters for CHEQ and PHLB Force Fields

Atom Type Unit	ε (CHEQ) (kcal/mol)	R_min/2 (CHEQ) (Å)	ε (PHLB) (kcal/mol)	R_min/2 (PHLB) (Å)

CTS	0.020	2.275	0.020	2.275
HAS	0.082	1.320	0.020	1.320
OHS	0.170	1.630	0.152	1.770
HOS	0.016	0.125	0.046	0.225
OES	0.070	1.803	0.152	1.770
NG1	0.120	1.880	0.200	1.850
HG	0.016	0.125	0.046	0.225
CG	0.160	2.225	0.110	2.000
OG	0.115	1.925	0.120	1.700
CT3G	0.073	2.020	0.080	2.060
HA3G	0.023	1.320	0.022	1.320
ON2	0.070	1.803	0.152	1.770