From: bxiong <[email-masked]>
Date: Sat, 23 Jun 2001 10:12:56 +0800

Dear All:
I want use the RESP method to calculate the charge. But my molecule is my defined amino acid ,it is a internal residue ,so it has a C=O at a C terminal and a N=H at a N terminal. it not a full molecule. How can I select the molecule model to fit the charge? thanks!!!

Best regards!
   
            [email-masked]

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