How do i obtain the vibrational frequancy from these results
________________________________________
From: Deák Robert [kokumetto.gmail.com]
Sent: 03 April 2013 13:44
To: AMBER Mailing List
Subject: Re: [AMBER] vecs file
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
> .
>
> .
>
> .
>
> .
>
> .
>
> .
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Apr 03 2013 - 06:30:03 PDT
