1#define _FF_OPLS
2#define _FF_OPLSAA
3
4; This force field uses a format that requires Gromacs 3.1.4 or later.
5;
6; References for the OPLS-AA force field:
7;
8; W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives,
9; J. Am. Chem. Soc. 118, 11225-11236 (1996).
10; W. L. Jorgensen and N. A. McDonald, Theochem 424, 145-155 (1998).
11; W. L. Jorgensen and N. A. McDonald, J. Phys. Chem. B 102, 8049-8059 (1998).
12; R. C. Rizzo and W. L. Jorgensen, J. Am. Chem. Soc. 121, 4827-4836 (1999).
13; M. L. Price, D. Ostrovsky, and W. L. Jorgensen, J. Comp. Chem. (2001).
14; E. K. Watkins and W. L. Jorgensen, J. Phys. Chem. A 105, 4118-4125 (2001).
15; G. A. Kaminski, R.A. Friesner, J.Tirado-Rives and W.L. Jorgensen, J. Phys. Chem. B 105, 6474 (2001).
16;
17
18[ defaults ]
19; nbfunc	comb-rule	gen-pairs	fudgeLJ	fudgeQQ
201		3		yes		0.5	0.5
21
22#include "ffnonbonded.itp"
23#include "ffbonded.itp"
24