Dear amber users,
Currently, I am thinking a question: can we use amber, for example MMPBSA.py, to calculate the side chain interactions within one protein. You know, in some situation the side chain interaction is very interesting, as it can help us understand the driving force under conformation change of the protein. Can anyone here give me some ideas on that?
Very appreciated for sharing your ideas!
Rilei Yu
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Received on Tue Oct 26 2010 - 22:00:04 PDT
