[AMBER] Covariance Matrix of residues center of mass

From: Guadalupe Alvarez <gualvarez.unsam.edu.ar>
Date: Wed, 17 Jul 2019 11:42:01 -0300

Hello,
I'm trying to compute the Covariance Matrix of residues center of mass, but
the cpptraj function "matrix covar" only performs the calculation by atom,
not by residue. Does anybody know a way for doing this?
Thanks very much!

Best regards,

Guadalupe.
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Received on Wed Jul 17 2019 - 08:00:03 PDT