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)
Received on Fri Jun 22 2001 - 19:11:09 PDT
