[gmx-users] Making composite box in gromacs

[Justin Lemkul]

On 3/31/13 6:38 AM, Abhinav Agrawal wrote:
> I have polymer and clay structures and I need to study their surface
> interaction. How do I keep a clay box on top of polymer.
>

The concepts of "top" and "bottom" are irrelevant in a periodic system.  You can 
position anything within the unit cell wherever you like with editconf -center.

-Justin

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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