[gmx-users] box type
tsjerkw at gmail.com
Fri Dec 18 07:02:27 CET 2015
Yes, but why would you want to? The rhombic dodecahedron is the optimal
one, corresponding to the packing of a sphere. The truncated octahedron has
no specific advantages.
On Dec 18, 2015 1:40 AM, "Justin Lemkul" <jalemkul at vt.edu> wrote:
> On 12/17/15 7:25 PM, Sana Saeed wrote:
>> hi gmx userscan we use truncated octahedron as -bt (box type) in gromacs.
> The user manual knows the answer.
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
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> Baltimore, MD 21201
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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