. Author manuscript; available in PMC: 2010 May 13.

Published in final edited form as: J Comput Chem. 2007 Jan 30;28(2):495–507. doi: 10.1002/jcc.20474

Table 10.

Dihedral parameters of nonbridging oxygen and sulfur for thio-substituted phosphate

	Atom Types				Force Constant	Fold	Phase
Thio substitution	ONS	P	ON2	CN9	0.20	2	0.00
	ONS	P	ON2	CN9	0.20	3	0.00
	SO	P	ON2	CN9	0.40	1	180.00
	SO	P	ON2	CN9	0.10	3	0.00

Dithio substitution	SS	P	ON2	CN9	0.45	1	180.00
	SS	P	ON2	CN9	0.20	2	0.00
	SS	P	ON2	CN9	0.10	3	0.00