[gmx-users] GMX 5.0.4 gmx gangle to choose the normal vector of a plane
mark.j.abraham at gmail.com
Wed Apr 15 18:23:12 CEST 2015
Can't you get the angle you want by subtracting the one you have from 90?
On 15/04/2015 5:58 pm, "LIANG Xujun" <Xujun.LIANG at cea.fr> wrote:
> Dear GROMACS users,
> I am now using gromacs 5.0.4 to calculate the angle between the normal
> vector of a plane 1 and the COM (center of mass) vector of plane 1 and
> plane 2, I used the following command:
> gmx gangle -f *.xtc -s *.tpr -n *.ndx -g1 plane -group1 plane 1 (I tried
> to use this command to select the normal vector of plane 1, but it doesn't
> work!!) -g2 vector -group2 "com of group 1 plus com of group 2" (use this
> to define the COM vector) -oav *.xvg
> But unfortunately, the results I obtained were the angle between plane 1
> and COM vector, not normal vector of plane 1 with COM vector. Thus, couly
> you please help me to define the plane normal vector in gromacs 5.0.4??
> Thanks very much in advance!
> Sincerely yours,
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