[gmx-users] g_angle (Problem in Dihedral Angles)
Alok
alokjain at iitk.ac.in
Mon Dec 13 20:02:50 CET 2004
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.
thanks in advance
Alok Jain
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