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