Dear GROMACS Gurus,
I assigned improper dihedrals to my graphene structuure but still see it
vibrating. Is this to be expected? I thought the purpose of improper
dihedrals was to keep planar structures planar.
Here is a copy of a couple of sections of my topology file after
assigning the improper dihedrals to my graphene structure:
#define improper_dihedral improper_Z_CA_X_Y
[ dihedrals ]
; ai aj ak al funct c0 c1
c2 c3 c4 c5
3 1 2 5 1 improper_dihedral
2 1 3 7 1 improper_dihedral
2 1 4 9 1 improper_dihedral
1 2 5 11 1 improper_dihedral
1 2 6 13 1 improper_dihedral
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