[gmx-users] The dihedral angles from 192 elements ??
chihying2008 at gmail.com
Thu Jul 3 01:02:45 CEST 2008
Four atoms form a set of diheral angles.
When I do g_angle for the dihedral angle calculation, it shows
Group 0 (Phi=180.0_2_70) has 4 elements
Group 1 (Phi=180.0_2_6) has 16 elements
Group 2 (Phi=180.0_2_40) has 192 elements
Select a group:
If I select Group 2, there is 192 elements (192=48*4), it means there
are 48 sets of dihedal angles).
g_angle -od angdist.xvg -ov angaver.xvg type diheral
output 2 plots: angdist.xvg and angaver.xvg
what does the two plots mean for the 48 sets of dihedral angles??
Are the two plots average over the 48 sets of dihedral angles?
Thanks a lot
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