this is a useful article for such calculations
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2426661/
On Fri, Apr 30, 2010 at 4:43 PM, <luzhenw1.msu.edu> wrote:
> According to model-free formalism, the internal correlation function of NH
> vector, CI(t)=S^2+(1-S^2)e^(-t/tau)>=0. I tried to calculate the order
> parameter from MD calculation. However, I got negative value of the
> auto-correlation function for some residues. Is the defination of
> autocorrelation different between NMR and MD? Thanks.
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Received on Fri Apr 30 2010 - 14:00:05 PDT
