AMBER Archive (2001)

Subject: (no subject)

From: bxiong (bxiong_at_mail.shcnc.ac.cn)
Date: Fri Jun 22 2001 - 21:11:09 CDT

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!
   
            bxiong_at_mail.shcnc.ac.cn

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