[ atomtypes ] ; combination rule = 1 ; type mass charge ptype c6 c12 CH3 15.035 0.000 A 9.0638e-3 2.5206e-5 CH2 14.027 0.000 A 5.8108e-3 2.2071e-5 OE 15.999 0.000 A 8.8147e-4 4.2477e-7 OA 15.999 0.000 A 2.3465e-3 1.7802e-6 HA 1.008 0.000 A 0.000 0.0000 [bondtypes] ; i j func b0 kb CH3 CH2 1 0.15400 517488.48 CH2 CH2 1 0.15400 517488.48 CH2 OE 1 0.14100 618809.04 CH2 OA 1 0.14300 618809.04 OA HA 1 0.09450 618809.04 [angletypes] ; i j k func th0 cth CH3 CH2 CH2 1 114.00 519.65 CH2 CH2 CH2 1 114.00 519.65 CH2 CH2 OE 1 112.00 418.22 CH2 OE CH2 1 112.00 502.19 CH2 CH2 OA 1 109.47 419.05 CH2 OA HA 1 108.50 460.62 [ dihedraltypes ] ; ; Ryckaert-Bellemans Dihedrals ; ; ai aj ak al funct c0 c1 c2 c3 c4 c5 CH3 CH2 CH2 CH2 3 8.231078 16.952626 1.133928 -26.317632 0.000000e+00 0.000000e+00 CH2 CH2 CH2 CH2 3 8.231078 16.952626 1.133928 -26.317632 0.000000e+00 0.000000e+00 CH2 CH2 OE CH2 3 7.949051 7.892513 2.722990 -18.564553 0.000000e+00 0.000000e+00 CH2 CH2 CH2 OE 3 6.983076 17.736182 0.886988 -25.606246 0.000000e+00 0.000000e+00 OE CH2 CH2 OE 3 8.368267 25.104800 4.184175 -33.473067 0.000000e+00 0.000000e+00 OE CH2 CH2 OA 3 8.368267 25.104800 4.184175 -33.473067 0.000000e+00 0.000000e+00 CH2 CH2 OA HA 3 2.822015 2.943074 0.485066 -6.250155 0.000000e+00 0.000000e+00