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

Tsjerk Wassenaar tsjerkw at gmail.com
Sun Nov 24 21:28:09 CET 2013


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
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>



-- 
Tsjerk A. Wassenaar, Ph.D.


More information about the gromacs.org_gmx-users mailing list