[gmx-users] octahedron box shape problem

[Berk Hess]

The problem is that the g96 format only supports
rectangular boxes. I knew this when I implemented
triclinic boxes, but I forgot to put a warning in
the code or to extend the file format.
I would probably be best to extend the g96 box
format in the same way as was done for the gro
format.

Berk.


_________________________________________________________________
Get your FREE download of MSN Explorer at http://explorer.msn.com/intl.asp