Hi All
I have polymer chains (4 chains) knitted together and done explicit solvent simulation. I am interested to know how much each chain has strain/energy (may be not even a correct term to use). I can calculate single point energy (MM energy; using imin=5) of backbone but would it be sufficient (if not satisfactory) to represent such behaviour?
Also I am not sure if I can just use atoms as there is residue based decomposition of energy or is there any other method that can help in such analysis.
thanks
Jiom
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Received on Wed Mar 19 2014 - 09:30:04 PDT
