[gmx-users] cation-pi interaction

Dr. Vitaly Chaban vvchaban at gmail.com
Sat Jun 1 10:25:10 CEST 2013

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.
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list