Subject: CCL: How to calculate the bond energy

From: "Barbany, Montse" <[email-masked]>
Date: Thu, 27 Mar 2003 10:57:15 +0100

Dear Jinsong Zhao,
I am the developer of MIPSim package (http://genome.imim.es/modeling/mipsim/index.html)
You can use mipline keyword implemented in MIPSim to calculate quantum 
energy along a bond of a molecule.

Best wishes,

Montse

-- 
Montserrat Barbany Puig

Computational Structural Biology Laboratory
Research Group on Biomedical Informatics (GRIB) - IMIM/UPF
Pg.Marítim de la Barceloneta, 37-49; 08003 Barcelona (Spain)
Tel: +34 93 224 0893 // +34 93 224 0875
e-mail: [email-masked]         http://www.imim.es/grib/