[AMBER] Mass-weighted covariance matrix

From: gmx <qasimpars.gmail.com>
Date: Wed, 2 Feb 2022 17:54:48 +0300

Dear users,

I have a reference .pdb file and .xtc trajectory file of a protein. I need to generate the mass-weighted covariance matrix but I don't know how to do it with Amber. Can someone tell me how I can get the mass-weighted covariance matrix with Ambertools?

Thanks in advance.
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Received on Wed Feb 02 2022 - 07:00:02 PST