ADL: OH group

wiktoria piasecka wpiasecka at gmail.com
Wed Nov 30 16:40:03 PST 2011


Hi,

I want to dock some inhibitors to a binding site where water OH group is
bound to two Zn2+ ions. In my pdbqt file i get the charges for those atoms
equal to 0 and my question is how can I change that? I surely can assign
2.000 charge to Zn by hand, but what charges do I give to OH group? Any
ideas?


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