[gmx-users] cation-pi interaction

[Mark Abraham]

Chapter 8 of the manual names a tool that sounds like what the OP wants ;-)

Mark


On Sat, Jun 1, 2013 at 10:25 AM, Dr. Vitaly Chaban <vvchaban at gmail.com>wrote:

> 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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