; Fatty acid C24:0 [ moleculetype ] ; name nrexcl FA24 3 [ atoms ] ; nr type resnr resid atom cgnr charge mass 1 HO 1 FA24 H1 1 0.3980 1.0080 2 OA 1 FA24 O1 1 -0.5480 15.9994 3 C 1 FA24 C1 1 0.530 12.0110 4 O 1 FA24 O2 1 -0.380 15.9994 5 LP2 1 FA24 C2 2 0.0 14.0270 6 LP2 1 FA24 C3 3 0.0 14.0270 7 LP2 1 FA24 C4 4 0.0 14.0270 8 LP2 1 FA24 C5 5 0.0 14.0270 9 LP2 1 FA24 C6 6 0.0 14.0270 10 LP2 1 FA24 C7 7 0.0 14.0270 11 LP2 1 FA24 C8 8 0.0 14.0270 12 LP2 1 FA24 C9 9 0.0 14.0270 13 LP2 1 FA24 C10 10 0.0 14.0270 14 LP2 1 FA24 C11 11 0.0 14.0270 15 LP2 1 FA24 C12 12 0.0 14.0270 16 LP2 1 FA24 C13 13 0.0 14.0270 17 LP2 1 FA24 C14 14 0.0 14.0270 18 LP2 1 FA24 C15 15 0.0 14.0270 19 LP2 1 FA24 C16 16 0.0 14.0270 20 LP2 1 FA24 C17 17 0.0 14.0270 21 LP2 1 FA24 C18 18 0.0 14.0270 22 LP2 1 FA24 C19 19 0.0 14.0270 23 LP2 1 FA24 C20 20 0.0 14.0270 24 LP2 1 FA24 C21 21 0.0 14.0270 25 LP2 1 FA24 C22 22 0.0 14.0270 26 LP2 1 FA24 C23 23 0.0 14.0270 27 LP3 1 FA24 C24 24 0.0 15.0350 [ bonds ] ; ai aj func b0 kb 1 2 1 0.1000 313800.0 2 3 1 0.1360 376560.0 3 4 1 0.1230 502080.0 3 5 1 0.1530 334700.0 5 6 1 0.1530 334700.0 6 7 1 0.1530 334700.0 7 8 1 0.1530 334700.0 8 9 1 0.1530 334700.0 9 10 1 0.1530 334700.0 10 11 1 0.1530 334700.0 11 12 1 0.1530 334700.0 12 13 1 0.1530 334700.0 13 14 1 0.1530 334700.0 14 15 1 0.1530 334700.0 15 16 1 0.1530 334700.0 16 17 1 0.1530 334700.0 17 18 1 0.1530 334700.0 18 19 1 0.1530 334700.0 19 20 1 0.1530 334700.0 20 21 1 0.1530 334700.0 21 22 1 0.1530 334700.0 22 23 1 0.1530 334700.0 23 24 1 0.1530 334700.0 24 25 1 0.1530 334700.0 25 26 1 0.1530 334700.0 26 27 1 0.1530 334700.0 [ pairs ] ; ai aj func 7 3 1 6 4 1 6 2 1 5 1 1 [ angles ] ; ai aj ak func theta0 ktheta 1 2 3 1 109.50 397.480 2 3 4 1 124.0 502.080 2 3 5 1 115.0 502.080 4 3 5 1 121.0 502.080 3 5 6 1 111.0 460.240 5 6 7 1 111.0 460.20 6 7 8 1 111.0 460.20 7 8 9 1 111.0 460.20 8 9 10 1 111.0 460.20 9 10 11 1 111.0 460.20 10 11 12 1 111.0 460.20 11 12 13 1 111.0 460.20 12 13 14 1 111.0 460.20 13 14 15 1 111.0 460.20 14 15 16 1 111.0 460.20 15 16 17 1 111.0 460.20 16 17 18 1 111.0 460.20 17 18 19 1 111.0 460.20 18 19 20 1 111.0 460.20 19 20 21 1 111.0 460.20 20 21 22 1 111.0 460.20 21 22 23 1 111.0 460.20 22 23 24 1 111.0 460.20 23 24 25 1 111.0 460.20 24 25 26 1 111.0 460.20 25 26 27 1 111.0 460.20 [ dihedrals ] ; ai aj ak al fn phi0 kphi mult 1 2 3 4 1 180.0 8.3680 2 1 2 3 5 1 180.0 8.3680 2 2 3 5 6 1 0.0 0.209 6 4 3 5 6 1 0.0 0.209 6 3 5 6 7 1 0.0 5.858 3 5 6 7 8 3 6 7 8 9 3 7 8 9 10 3 10 11 12 13 3 11 12 13 14 3 12 13 14 15 3 13 14 15 16 3 14 15 16 17 3 15 16 17 18 3 16 17 18 19 3 17 18 19 20 3 18 19 20 21 3 19 20 21 22 3 20 21 22 23 3 21 22 23 24 3 22 23 24 25 3 23 24 25 26 3 24 25 26 27 3 ; improper dihedral 3 2 5 4 2 0.0 167.360