[gmx-users] box vectores

Nuno R. L. Ferreira nunolf at ci.uc.pt
Fri Oct 17 15:40:01 CEST 2003

Dear gmx's

I usually do my MD runs with cubic boxes, and then the visualization is done with VMD. To visualize better the edges of the box, I draw lines around the box, based on the values of the 3 vectores (within VMD, or I could also use the ngmx utility).
Now, I'm starting to work with rhombic dodecahedron boxes, and I would like to do the same, to draw lines between the vertices of the polyhedra.
My problem, is that I don't know how to draw those lines for this polyhedra based again on 3 vectores only. 
Can anyone point me a book, or some other kind of information on how to do this?

P.S. ngmx draws the box only on cubes, triclinic and octahedrons. It doesn't draw the box around the rhombic dodecahedron. At least, I was not successful.

Nuno Ricardo Santos Loureiro da Silva Ferreira
Grupo de Química Biológica
Departamento de Química
Faculdade de Ciências e Tecnologia
Universidade de Coimbra
3004-535 Coimbra
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20031017/1d708d35/attachment.html>

More information about the gromacs.org_gmx-users mailing list