[gmx-users] Normal Mode Analysis

[Nguyen Hoang Phuong]

On Thu, 13 Mar 2003, Matthew Lardy wrote:

> Hi again,
>
> First, thanks for all of the help, it has really cleared up a number of
> questions that I had.  This one should be very easy.  How does one
> associate the eigenvectors with the respective atoms that they are
> associated with?  Not in a graphical fashion, but in some sort of flat
> text file.

Let V_k = (v1,v2...,v_n) be the eigenvector kth with
v1=(v_x1,v_y1,v_z1),v2=(v_x2,v_y2,v_z2),...,vn=(v_xn,v_yn,v_zn) then v1 is
the vector associate with atom1 and so on. v_x1, v_y1, v_z1 associate
with the x,y,z direction of motion of atom1, etc.

Phuong

>
> Thanks again,
> Matthew
>
>
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>