[gmx-users] Re: question about g_sgangle

[jeremy adler]

nevermind its just the cosine

On Wed, May 4, 2011 at 3:36 PM, jeremy adler <jeremyeadler at gmail.com> wrote:

> Hi,
>
> When i used g_sgangle, i specified 2 index groups of 3 atoms each and gave
> the -oa flag to get the angle between them. I got two columns of output
> (besides the time index) - one with much larger values on the right (they
> look reasonable) and one with much smaller values on the left. what is the
> difference between these two outputs?
> # This file was created Wed May  4 15:25:23 2011
> # by the following command:
> # g_sgangle -f ../../exp.1/fullsystem.md.restart.1.xtc -s
> ../../exp.1/fullsystem.md.restart.1.tpr -n helixorient.ndx -oa
> exp1.cross.xvg
> #
> # g_sgangle is part of G R O M A C S:
> #
> # Gnomes, ROck Monsters And Chili Sauce
> #
> @    title "Angle between aproa and aprob"
> @    xaxis  label "Time (ps)"
> @    yaxis  label "Angle (degrees)"
> @TYPE xy
>            0      0.803241       36.5593
>          150      0.995972       5.14453
>          300      0.909836       24.5173
>
>
> thanks
>
> Jeremy
>
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