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

[Ankita Naithani]

Hi Tsjerk,

Thank you for your reply. So, basically the numbers are just the xyz
components. and the Total is, I quite didn't understand what the total
would be? If they are dimensionless, does that mean they are defining a
direction? I mean should we say that the total component for instance is a
measure of the direction of the eigenvector? Also, I was wondering if this
could be valid to use for comparison between eigenvectors of different
trajectories to account for or observe the similarity/dissimilarity amongst
the two?


Kind regards,

Ankita


On Sun, Nov 24, 2013 at 8:27 PM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:

> 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.
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-- 
Ankita Naithani