[gmx-users] my minimization structure looks like a messy box?

Justin Lemkul jalemkul at vt.edu
Wed Dec 13 17:04:32 CET 2017



On 12/13/17 11:02 AM, MD wrote:
> Hi Gromacs folks,
> Any of you have experienced having a messy box looking gro file after
> em.mdp?

Probably 
http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions 
but you'll have to define "messy" if that's not what's going on.

-Justin

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Justin A. Lemkul, Ph.D.
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