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From: bxiong <bxiong_at_mail.shcnc.ac.cn>
Date: Sat 23 Jun 2001 10:11:9 +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!

Xiong Bin
Shanghai Institute of Materia Medica, C.A.S.
Received on Fri Jun 22 2001 - 19:11:09 PDT
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