[gmx-users] (no subject)
maarten_wolf at yahoo.co.uk
Tue Jun 8 12:11:25 CEST 2004
I run into a problem with trjconv -center -pbc whole. The -center
option places my molecule at the edge of the box instead of in the
center. I checked the archive to see if anyone else had the same
problem and I found that in jan. dr. Dallas Warren encountered the same
problem. However the thread stopped and I could not find the solution.
The last message was:
>>Did you check the coordinates with gmxdump or so? There's a bug in
>>that shifts molecules when their coordinates are correct, so ngmx is
>>a good test...
>I used trajconv on a .gro file of one of the frames to see what it did
>checked the values in that. It does handle gro and xtc files in the
>manner? I also do all my visualisation using VMD, so the bug in ngmx
>not an issue.
>Dr. Dallas Warren
Is there a follow up or does anyone know a solution?
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