[gmx-users] How to determine if it is the pi-pi stacking interaction?

[Justin A. Lemkul]

Chih-Ying Lin wrote:
> 
> Hi
> 
> How to determine if it is the pi-pi stacking interaction?
> 

Visual inspection, g_mindist, g_mdmat, and g_dist might be useful, along with 
reading through the manual for descriptions of the analysis tools while 
searching for relevant terms.

-Justin

> My system are surfactants mixing with water.
> 
> The surfactants carries phenyl-groups.
> 
> Thanks
> Lin
> 
> 
> 
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-- 
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Justin A. Lemkul
Graduate Research Assistant
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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