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

MD refmac5 at gmail.com
Wed Dec 13 17:41:28 CET 2017


It looks like this
https://drive.google.com/open?id=1DMy1otIYQZD8uxF6sZaZzZK4qN1z_qyD

On Wed, Dec 13, 2017 at 11:04 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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.
> Assistant Professor
> Virginia Tech Department of Biochemistry
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