Subject: CCL: autocorrelation for dihedrals

From: [email-masked] (Frank Eisenmenger)
Date: Tue, 18 Apr 1995 12:54:56 +0200 (MET)

Hi All,

during conformational analysis of peptides the following question occurred:

given a (time-)series of conformations for a linear,four-atom molecule
described by one dihedral angle (=tau, range 180 ... +180)

How calculate the autocorrelation function for tau, taking into account the
"cyclic" behaviour of dihedrals ?

Thanks for your ideas,

Frank Eisenmenger
 
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