[gmx-users] cation-pi interaction

[Dr. Vitaly Chaban]

Can g_angle not handle this?


Dr. Vitaly Chaban





On Sat, Jun 1, 2013 at 10:15 AM, larif sofiene <larifsofiene at gmail.com>wrote:

> Greeting
> 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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