[gmx-users] Modeling Zinc in OPLS
ssomani at bii.a-star.edu.sg
Tue Mar 1 10:43:03 CET 2005
I have a Zn atom in my protein cordinating with CYS and HIS.
Is it fine to model it with just the non-covalent interactions (using
parameters available in the OPLS force filed) or a bonded interaction
should be considered ?
Thnx & Rgds
Computational Biology Group
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