[gmx-users] The octahedron problem

Vy Phan phanvy120690 at gmail.com
Tue May 19 15:27:44 CEST 2015


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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