[AMBER] charge and ionization state at pH 6.5

From: Acoot Brett <acootbrett.yahoo.com>
Date: Wed, 16 May 2012 04:11:30 -0700 (PDT)

Dear All,
 
Will you please tell me how Amber calculates the total
charge of a protein at pH 6.5? And how do we assign the ionization state of the
residues, especially for HIS?
 
I am looking forward to getting a reply from you.
 
Cheers,
 
Acoot
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Received on Wed May 16 2012 - 04:30:04 PDT