[gmx-users] Re: g_anaeig output
gmx3 at hotmail.com
Mon Jun 21 15:56:38 CEST 2004
> > Could you look directly in the output files to see if you really have
> > 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
>the first eigenvector. The other eigenvectors are correct. At least I hope
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?
Protect your PC - get McAfee.com VirusScan Online
More information about the gromacs.org_gmx-users