AW: [gmx-users] Shape of box

Justin A. Lemkul jalemkul at
Wed Apr 4 14:01:12 CEST 2012

Rausch, Felix wrote:
> Hi Lara,
> Please see "editconf -h" for the available box shapes. Which of these you use
> is depending on your system (or a matter of taste actually). The dodecahedron
> is mostly used to decrease the system volume, thus it's a good choice for the
> simulation of a single protein in solvent (as in your tutorial?).

Not to mention the inherent geometry of a globular protein.  The manual contains 
a nice discussion of box types and their geometries in section 3.2.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at] | (540) 231-9080


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