[gmx-users] g_angle

[ayşe K]

Dear Users,

I used OPLS force field and I defined improper dihedral for aromatic rings to keep them planar.
I calculated the distribution of the dihedral angle in between aromatic rings of biphenyl with  below comment.




g_angle_d -f traj.xtc -n dihed1.ndx -type dihedral -od dihdist.xvg



 




As I know, It is possible to
 calculate the angle distribution by choosing the "type" as dihedral, 
improper, or ryckaert-bellemans. However when I choose type as improper,
 I got the same result with dihedral type chose.
How can I solve this problem?




Thanks,




Ayse.