Dear all,
I am designing a patch for an enzyme with a Cys residue coordinated to two Ni atoms. The geometry is such that a 3-member ring forms between the two Nickel atoms and the sulfur atom of the Cys. When I try to patch my protein to the active site metal atoms, CHARMM complains with
"***** LEVEL 0 WARNING FROM *****
***** THREE MEMBER RING FOUND, NO DIHEDRAL ADDED"
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Is there any way to circumvent this problem?


Edited by Nadia (06/30/19 09:00 AM)