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

[Alok]

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.
                       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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