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; Methanol, Jorgensen et al. JACS 118 pp. 11225 (1996)
;
[ moleculetype ]
; name nrexcl
MET 3
[ atoms ]
; nr type resnr residu atom cgnr charge mass
1 opls_157 1 MET C 1 0.145
2 opls_156 1 MET H 1 0.04
3 opls_156 1 MET H 1 0.04
4 opls_156 1 MET H 1 0.04
5 opls_154 1 MET OA 1 -0.683
6 opls_155 1 MET HO 1 0.418
[ bonds ]
; ai aj funct c0 c1
1 2 1
1 3 1
1 4 1
1 5 1
5 6 1
[ pairs ]
; i j funct
2 6
3 6
4 6
[ angles ]
; ai aj ak funct c0 c1
; H3
2 1 5 1
3 1 5 1
4 1 5 1
4 1 3 1
4 1 2 1
3 1 2 1
1 5 6 1
;
[ dihedrals ]
2 1 5 6 3
3 1 5 6 3
4 1 5 6 3
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