AMBER Archive (2007)

Subject: Re: AMBER: (no subject)

From: David A. Case (case_at_scripps.edu)
Date: Wed Nov 28 2007 - 11:09:04 CST

On Wed, Nov 28, 2007, Gabriele Viliani wrote:
>
> 1- the components of the eigenvectors produced by nmode: do they represent
> actual atomic displacements or should they be mass weighted?

They do not need to be mass weighted.

>
> 2- are they computed in the reference frame of the principal axes of
> inertia?

No.

...dac

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