[gmx-users] does gromos force field can explain pi-pi interaction

Wei Fu fuwei at adrik.bchs.uh.edu
Wed Jul 26 17:44:51 CEST 2006

Dear gmx users,

    My simulation shows that the aromatic ring of ligand forms stacking
pi-pi interaction with the side chain of Phe of receptor during MD
One reviewer of my manuscript questions that such pi-pi interaction can
not accurately accounted for by the employed force field.  

I do not know how to answer this question, any idea is highly appreciated!


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