[gmx-users] The octahedron problem

Tsjerk Wassenaar tsjerkw at gmail.com
Tue May 19 16:15:25 CEST 2015


Hi Tuong Vy,

No, it uses Pymol CGO to draw the cell. I think that won't work in VMD.

Cheers,

Tsjerk
On May 19, 2015 15:28, "Vy Phan" <phanvy120690 at gmail.com> wrote:

> Dear Tsjerk Wassenaar
> Can I display it on the VMD ?
> Thank a lot
> Tuong Vy
>
> 2015-05-19 20:22 GMT+09:00 Tsjerk Wassenaar <tsjerkw at gmail.com>:
>
> > Hi Tuong Vy,
> >
> > An octahedral or dodecahedral box is pretty tricky. I have a Pymol script
> > for generating them, but it will probably require some more work...
> >
> > Cheers,
> >
> > Tsjerk
> > On May 19, 2015 13:18, "Vy Phan" <phanvy120690 at gmail.com> wrote:
> >
> > > Dear Gromacs Users,
> > > I have the problem with generating the octahedron box.  I always get
> the
> > > rectangular box (using VMD)
> > > When I searched on the gmx maillist, I saw some people met same
> problem.
> > > Is problem is normal in gromacs?
> > >
> > > After run simulation, I can display the trajectory on VMD by using the
> > > command trjconv -pbc mol -ur compact for converting the system. But I
> can
> > > not display the octahedron box after solvated system.
> > >
> > > Could someone help me ?
> > >
> > > Tuong Vy
> > > --
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