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

From: George Giambasu <giambasu.gmail.com>
Date: Thu, 23 May 2013 09:42:08 -0400

> 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 - 07:00:04 PDT
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