[gmx-users] g_anaeig

[SWAPNA]

thanks for the help...
sorry I made a mistake with flags -f -e in the mail

Swapna

On Tue, Mar 18, 2008 at 4:43 PM, Mark Abraham <Mark.Abraham at anu.edu.au>
wrote:

> SWAPNA wrote:
> > Dear gmx users,
> > I am using g_anaeig to filter my traj along the first eigenvector.
> >
> > 'g_anaeig -b 5000 -f 15000 -v eigenvec.trr -f calpha.tpr -s calpha.xtc
> > -first 1 -last 1 -filt alongeigvec1 -dt 100'
> > 5000ps to 15000ps has equilibriated trajectory. So I am using that to
> > perform essential dynamics.
> >
> > When I do this it gives segmentation fault as below
> > ------------
> > Reading frame       0 time    0.000   Segmentation fault
> > -----------------
>
> The -f flag doesn't accept a number.
>
> > When I give -b 0 -e 15000 it works without any problem.
> > But it stops reading frames before the end time is 15000.
> >
> > -----------
> > Reading frame   29000 time 14500.001
> > ----------
> >
> > can I get filtered trajectory for -b 5000 -f 15000 ?
>
> No, but you might be able to get one for -b 5000 -e 15000.
>
> Use gmxcheck on the trajectory to see what it contains.
>
> Mark
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