[gmx-users] Problem - can't set dodecahedrons box

[Tsjerk Wassenaar]

Hi,

> You can post-process your trajectory using "trjconv -pbc mol -ur compact" to see the real
> representation.

The real representation is the infinite periodic system; there is no
box shape there. For representation of a single unit cell you can take
any cut that is consistent with the lattice, all being equally real.

Cheers,

Tsjerk

-- 
Tsjerk A. Wassenaar, Ph.D.

Computational Chemist
Medicinal Chemist
Neuropharmacologist