[gmx-users] Angle between a vector and the normal to a sphere

ABEL Stephane 175950 Stephane.ABEL at cea.fr
Tue May 31 18:00:35 CEST 2016


OK  thanks Yu,  

I have another question how to select the  water sphere  center dynamically  With g_select?  

S

--------------------------------- 

Hi St?phane,
gmx gangle may be what you need.
http://manual.gromacs.org/programs/gmx-gangle.html
-Yu

2016-05-31 13:22 GMT+02:00 ABEL Stephane 175950 <Stephane.ABEL at cea.fr>:

> Hi all,
>
> Is there a command/tool in a gromacs to compute the angle between a vector
> defined defined two atoms molecule and the normal to a sphere defined by a
> set of atoms for instance water ? if yes, how
>
> I use a version of gromacs > 5.0
>
> Thanks
>
> St?phane
>
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