1080 means: you have 360 atoms in the analyzed system, so 1080 coordinates.
After this number, the vecs file contains the components of the normal mode
vectors, where each vector has 1080 coordinates.
So after every 1080 numbers begins the next normal vector.
Regards
2013/4/3 Rasha Alqus <rasha.alqus.manchester.ac.uk>
> Dear AMBER USERS,
>
>
>
> what dose the columns in vecs file represents . I ran a nmode to
> calculate the vibrational frequency.
>
> Regards
>
>
>
>
>
> this is apart of vecs file
>
>
>
> modes from NAB
> 1080
> 1.72151 -0.01058 0.03683 0.80188 -0.25366 -0.09737
> 0.05862
> 0.95776 -0.14852 0.09006 1.36019 -1.16153 0.65775
> 1.91388
> .
>
> .
>
> .
>
> .
>
> .
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> .
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>
>
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Received on Wed Apr 03 2013 - 06:00:05 PDT
