Re: [AMBER] Relationship of time-autocorrelation plots for two lengths of time

From: Sajeewa Pemasinghe <sajeewasp.gmail.com>
Date: Thu, 23 May 2013 17:31:04 -0400

Thank you very much.


On Thu, May 23, 2013 at 9:42 AM, George Giambasu <giambasu.gmail.com> wrote:

>
>
> > analyze timecorr vec1 v1 vec2 v1 tstep 1 norm out 1122updated.autocorr
>
>
> You are using the default order (2) of the correlation function. This type
> of correlation function is used commonly for NMR relaxation analysis and
> is calculated in this way: C(t)=<P2[v(t).v(0)]>, where P2(x)=(3x^2 -1)/2
> (second Legendre polynomial).
>
> George
>
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Received on Thu May 23 2013 - 15:00:02 PDT
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