[gmx-users] Visualizing non-rectangular boxes
Ignacio Fernández Galván
jellby at yahoo.com
Mon Oct 15 15:14:03 CEST 2007
--- sebastien santini <santini.s at fsagx.ac.be> wrote:
> I think you should use:
> editconf -f config.gro -o config.pdb -visbox 1 1 1
> donot forget to remove the
> MODEL 1
> from the file if you want to see the box with pymol.
> it works fine for me
With that, I get the same configuration (the shape occupied by the
molecules is still rectangular), but also an elongated dodecahedron
drawn with "CONECT" lines in the pdb...
Want ideas for reducing your carbon footprint? Visit Yahoo! For Good http://uk.promotions.yahoo.com/forgood/environment.html
More information about the gromacs.org_gmx-users