Hi Edward, The protein I am working with has several conformations and the exchange rate is in around 100micro seconds timescale. I am wondering when I choose different pdb structure as an input file to "relax", how big the final result (S^2) will differ from each other? Is there any literature talking about the influence of choosing structure coordinates?
Thanks for your help -- Xi Huang PhD Candidate, Division of Physical Chemistry Gail E. Fanucci Research Group Department of Chemistry University of Florida
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