[gmx-users] Cross-correlation Dihedral Angle

atanu das samrucu at yahoo.co.in
Sat Jul 18 02:16:38 CEST 2015

Hi All,
I have a 1 microsecond trajectory of a 11-residue peptide sequence. I want to identify how the movement/change of one dihedral angle dictates the dynamics of the other ones (if any). I was wondering if there is a way to estimate cross-correlation matrix (something similar to what can be obtained by using g_covar for C-alpha atoms) for dihedral angles.

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