[gmx-users] g_dist problems
Mark.Abraham at anu.edu.au
Wed May 23 06:20:19 CEST 2007
Edvin Erdtman wrote:
> Hi again...
>> How can we tell? You haven't given us your command line, or a
>> meaningful chunk of output.
> my command:
> g_dist -f traj.xtc -n index.ndx -s topol.tpr
> The output:
> Select a group: 0
> Selected 0: 'DPPC'
> Select a group: 1
> Selected 1: 'AL'
> Reading frame 0 time 0.000 Back Off! I just backed up dist.xvg
> to ./#dist.xvg.1#
> Reading frame 400 time 200.000
> -and then it stops! I need to hit ctrl-c
> dist.xvg ends:
> 216.0000153 3.7260792 2.1281288 1.1397107 -2.8382730
OK, so maybe there's a problem with your trajectory. You can try using
-b and -e to g_dist to see if you can analyze other small chunks of your
trajectory, or better yet, use gmxdump to see what's going on.
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