[gmx-users] g_angle (Problem in Dihedral Angles)

[David van der Spoel]

On Tue, 2004-12-14 at 10:53 +0530, Alok wrote:
> hello David,
>                     I want my values in the range of 180 to -180 or 0
> to 360.So how can i achieve that?? U have said that "periodicity is
> taken out" ..So how can i  reinclude that.
Did you check?

You could take cos, sin and atan2 with xmgrace
>                        Thank you,
>                        Alok Jain
> 
> David wrote:
> > On Tue, 2004-12-14 at 00:32 +0530, Alok wrote:
> >   
> > > Hello Gmx Usrs,
> > >                           I am  calculating the Dihedral angle (chi1 
> > > &chi 2)for a residue in my protein using the program g_angle. I was 
> > > thinking that dihedral angle should be in the range -180 to +180  or 0 
> > > to 360 degree . But i am getting values which are mixed up of these two 
> > > range  like -185 degree or sometimes negative and positive   values both 
> > > ... can any one suggest me where is the problem? if i am doing anything 
> > > wrong.
> > > 
> > > i used  g_angle     -f    ***.xtc   -s    ***.tpr   -n    ***.ndx     
> > > -od    -ov   -type dihedral   command.
> > >                                             
> > >     
> > check what they look like as a function of time. it may be that the
> > periodicity is taken out, in which case they should be continuous.
> > 
> > 
> >   
> > >                                                                                                     
> > >           thanks in advance
> > >                                                                         
> > >                                                                         
> > >                  Alok Jain
> > > 
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