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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========================================

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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