AMBER: Zn2+ and Ca2+ ions explicitly treated in MMPB/GB/SA

From: Piotr Cieplak <>
Date: Mon, 4 Dec 2006 16:20:02 -0800 (PST)

Dear All
I am having problems with setting mm/pb/gb/sa calculations
for metalloprotease that includes 2xZn2+ and 3xCa2+.
Does anyone have any experience what radius should I use for Zn2+ and Ca2+
in mm/pbsa calc?
As I understand I need to add those radii to the file.
Am I right?

Thanks for any help
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Received on Wed Dec 06 2006 - 06:07:38 PST
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