Hi,
My simulation system is villin headpiece , a small peptide .It includes ASP,GLU and other residues.We expect there will be coupling between COO- in the side chains of ASP,GLU and amide-I mode(primarily C=O mode) of the backbone , so I want to do some annlysis of the local structure to see whether there will some changes in the region around ASP,GLU and backbone after I perform MD simulation with AMBER FF03 based on the XRD structure of villin headpiece.
Can you give me some help? Thank you very much!
sincerely
Nancy
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Received on Wed Mar 10 2010 - 23:30:03 PST
