| blob | c2a180ed162b0db10e114640067eada060c59735 |
1 [ nonbond_params ]
2 ; ai aj funct a b c
3 #ifdef MM3
4 ; Parameters from MM3
5 C C 2 2.07861e+04 2.94117e+01 1.17244e-03
6 C H 2 1.77067e+04 3.37078e+01 4.40743e-04
7 H H 2 1.53971e+04 3.70370e+01 2.17819e-04
8 #else
9 ; Parameters from Dauchez et. al. (JCC Vol 14 No. 3 1992)
10 C C 2 3.49908e+05 3.60000e+01 2.37651e-03
11 C O 2 1.59912e+05 3.88100e+01 1.10709e-03
12 C H 2 3.66769e+04 3.67000e+01 5.23000e-04
13 O O 2 4.03756e+05 4.33300e+01 1.44766e-03
14 O H 2 2.40580e+05 4.72700e+01 5.10448e-04
15 H H 2 1.11043e+04 3.74000e+01 1.14223e-04
16 #endif