[gmx-users] Modeling Zinc in OPLS

Sandeep Somani 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

Research Associate
Computational Biology Group
Bioinformatics Institute 

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