[gmx-users] my minimization structure looks like a messy box?
jalemkul at vt.edu
Wed Dec 13 17:43:08 CET 2017
On 12/13/17 11:41 AM, MD wrote:
> It looks like this
That's classic PBC.
> 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
>> 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 A. Lemkul, Ph.D.
>> Assistant Professor
>> Virginia Tech Department of Biochemistry
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>> 340 West Campus Dr.
>> Blacksburg, VA 24061
>> jalemkul at vt.edu | (540) 231-3129
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Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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