binding free energy calculation

From: yp sun (sunyeping_at_yahoo.com.cn)
Date: Sun Apr 21 2013 - 07:42:52 CDT

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Dear namd-I user, I want to calculation the free energy of a peptide binding to a protein and the energy contribution of individual residues of the peptide. I have finished namd simulation, could anyone help me with that? where can I find the scripts to realize it? Best regards,    Yeping Sun CAS Key Laboratory of Pathogenic Microbiology & Immunology INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china

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