[gmx-users] G96 bond, angle and dihedral types for unusual covalent linkages

[jayalakshmi sridhar]

Dear GROMACS Users,
I have a protein in which the S-atom of a cysteine residue is bound to the
Fe atom of Heme residue by a covalent bond. I need to specify the G96 bond,
angle and dihedral types in the .top file. Where can I find this
information. Thanks for the help.
Jaya.
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