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
216.5000
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.
Mark
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