From: bxiong <[email-masked]>
Date: Mon, 25 Jun 2001 17:6:59 +0800

Dear Members:
because my residue in the protein is a non-normal amino acid ,so the AMBER can not recognize it .I want to fit the charge . but I can not determine what structure I use? Is I use the whole residue which have the normal COOH and NH2 or I use the structure which deleted OH and H(NH2) ? Can anyone give me suggestion about how to calculate charge of it ?
thanks!!!

Best regards!
   
            [email-masked]

Xiong Bin  
Shanghai Institute of Materia Medica, C.A.S.
phone:021-64311833-222(office)