On Sun, Jul 22, 2012, zhouhaibin2008.ok wrote:
> I want to know what tools i can use to calculate the anharmonicity
> and pairwise supralinear mode correlation corrections to the
> quasi-harmonic approximation. I only know ptraj action command matrix
> can fulfill Quasiharmonic Analysis .
I don't know of any pre-built tools that do this.
...dac
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Received on Mon Jul 23 2012 - 07:00:02 PDT
