[gmx-users] Visualizing non-rectangular boxes
Ignacio Fernández Galván
jellby at yahoo.com
Mon Oct 15 17:02:52 CEST 2007
--- chris.neale at utoronto.ca wrote:
> Here's a test. Copy this into a file and chmod +x it and then run it
> and vmd c.gro. Is it dodecahedron? It should be.
Hmm... No, it is still a rectangular box. I was preparing a simple test
similar to yours, but it's now unnecessary (interestingly, I had the
same "touch empty.mpd" line ;)).
VMD is version 1.8.6, so it's recent enough, and molden also shows the
same rectangular box (plus the triclinic box wireframe). Gromacs is
version 3.3.2, just compiled some days ago in a Mandriva 2007.1 system.
It seems there is some problem here.
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