[CP2K-user] Vibrational temperature of an atom during MD simulation

Amin amin.jaf... at gmail.com
Wed Mar 6 17:53:35 UTC 2019

Dear all,

I was wondering how I can achieve vibrational (or kinetic) temperature of 
an atom (or a couple of atoms) in a molecule during a MD simulation. Is 
that possible by using CP2K?

Thanks in advance.

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