[gmx-users] Trjconv

Amy Petrik apetrik at umd.edu
Fri Aug 13 21:44:46 CEST 2004

Good Afternoon!

I have compressed a trr file into an xtc file using the command trjconv -f file.trr -o file.xtc.  This seemed to work just fine.  So then I tried to test the validity of this compressed file by using it as my input for ngmx like this: ngmx -f file.xtc -s file.tpr.  When the viewer appeared with the filter box on top there were no spots to click on to "check" the part of the peptide that I wished to view.  Clicking where these should have been resulted in a beep.  Then attempting to use VMD to view it I got an error that the number of atoms in my xtc file did not match the number in my gro file.  Anyone else ever have this problem?  Thanks!! 

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