[gmx-users] g_anaeig

[Mark Abraham]

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