[gmx-users] Re: g_anaeig output

[Berk Hess]

>
> > Could you look directly in the output files to see if you really have 
>only
> > half of the ouput for vector 1, or if half might be 0 or constant?
>I had a look again. It is really there.
>
> > And from which time and atom number on is the output missing?
> >
> > Berk.
>
>It looks like half of the atoms and half of the simulation time is missing 
>for
>the first eigenvector. The other eigenvectors are correct. At least I hope
>they are.

I have looked at the g_anaeig output xvg files and all values are there.
The problem is that xmgrace auto-scales graph 0, while graphs 1-7
are not auto-scaled. As only graph 7 has tick labels it seems as if
half of the graph is missing.
I only use xmgr so I did not notice this problem up till now.

The g_anaeig output graphs does have the line:
@    world xmax 1033
But something extra seems to be required for xmgrace to use this.
I wrote an xvg with xmgrace with the correct scaling, but then xmgrace
writes hundreds of extra lines.

Does anyone know which line(s) xmgrace requires to prevent auto-scaling?

Berk.

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