[gmx-users] Re: eigenvectors in readable format

Ramachandran G gtrama at gmail.com
Sat Oct 16 07:00:37 CEST 2010


Hi,
Can anyone help to get the eigen vector in ascii format. I have with me the
trajectory file 'eigenvec.trr'.

On using g_covar_d, i got the the ascii format file 'covar.dat'  and it has
covariance matrix of 3(NxN) number. But i am not interested in that.

I am interested in getting the ascii(readable) format of eigenvector and
hessian.mtx .
Your help is highly appreciated. Thank you.

with regards,
Rama

On Fri, Oct 15, 2010 at 2:29 PM, Ramachandran G <gtrama at gmail.com> wrote:

> Hi gmx users:
>     I did normal mode analysis and got the hessian.mtx . Using the command
> g_nmeig_d on the hessian.mtx
> i got the eigenfreq.xvg, eigenval.xvg, eigenvec.trr.
>
> I need the complete eigenvector in the readable format. How i can get it?
> Thank you.
>
> with regards,
> Rama
>
> --
> Postdoctoral Research Scholar,
> Department of Chemistry,
> University of Nevada, Reno.
>
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