[gmx-users] Fwd: Help on the vector component

[Tsjerk Wassenaar]

Hi Ankita,

I had to check the source for this, but -comp writes out the eigenvector as
atom-coordinate components (x,y,z), and the norm of the eigenvector part of
the given atom (total). The numbers are dimensionless.

Hope it helps,

Tsjerk


On Sun, Nov 24, 2013 at 2:38 PM, Ankita Naithani
<ankitanaithani at gmail.com>wrote:

> Hi,
>
> I wanted some help regarding vector components. I.e. when we use the
> g_anaeig command with a flag of -comp, it outputs a file of the
> corresponding eigenvector per atom. So, the x-axis has the atom number and
> the Y-axis has the total, x, y and z components. I am not sure about what
> do they mean? Also, what are the units of these components? Like the
> numbers on Y-axis, what are the corresponding units? I would be really
> grateful if anyone could kindly help me on this.
> Apologies for reposting but was wondering if anyone has any thoughts on it?
>
> Best wishes,
>
> --
> Ankita Naithani
>
>
>
> --
> Ankita Naithani
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-- 
Tsjerk A. Wassenaar, Ph.D.