AMBER Archive (2004)

Subject: AMBER: How many ions?

From: Volodymyr Zloy (vzloy_at_yahoo.com)
Date: Fri Sep 10 2004 - 06:23:38 CDT

Dear Amber users,

 

I want to perform MD simulation of a protein (45 kDa) with near 14 000 water molecules. The protein is negatively charged (–13). How many ions should should I add to compensate this charge and to have expectable ion strength?

 

Sincerely yours,

 

Volodymyr

                
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