AMBER: Zn complex parametrization question

From: Ashutosh Suhas Jogalekar <>
Date: Wed, 16 Mar 2005 16:27:38 -0500

I am parametrizing AMBER* in MacroModel for a Zinc complex. It's
basically a Zinc bonded to two histidines (two of the ligands being the
His nitrogens and the other two being the terminal NH2s) Generally, in
such cases (involving Zinc complexes), after parametrization, how much
deviation is considered normal (for bond lengths, angles, and
It would be helpful if you could provide ballpark values.
Ashutosh Jogalekar

Ashutosh S. Jogalekar
Second Year Graduate Student
Molecular Modelling Lab
Department of Chemistry
Emory University
Atlanta, GA 30322

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Received on Wed Mar 16 2005 - 21:53:00 PST
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