[gmx-users] cation-pi interaction

larif sofiene larifsofiene at gmail.com
Sat Jun 1 10:15:23 CEST 2013

I'm trying to find the angle between a cation and a benzene cycle from a MD
trajectory. I'm really confused  is there a tool for such calculations ?
because i must find angle using a plan passing by the center of the cycle
and vector (from cation to the mass center of the benzene cycle).
How can i do it please ?.
thanks in advance.

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