[gmx-users] g_traj -ng not working with option -ng

Jon Ellis jon.ellis at utoronto.ca
Fri Sep 29 16:29:28 CEST 2006

Hello GMXers

I am trying to extract coordinates for a number of different groups  
over a trajectory using g_traj.

When I run g_traj with the -ng 16 option, I can only specify a single  
group. I've tried for fewer or more groups, with no success, and I've  
tested to see if it would ask for the next group when it was  
finished, but it didn't.

It works fine when I use -com, but I need the full coordinates, not  
just Centres of Mass. I could specify each single atom as a group,  
but that would further increase the number of groups, and the post- 
processing, so I'm wondering if there's a solution?

I'm running v3.3, but I've tried it with 3.31 as well.

Any hints?

Jon Ellis

Jon Ellis
PhD Candidate, Thompson Group
Institute of Biomaterials and Biomedical Engineering/Dept of Chemistry
University of Toronto
Lash Miller 147
(416) 978-6568
jon.ellis at utoronto.ca

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