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