[gmx-users] The dihedral angles from 192 elements ??

Chih-Ying Lin 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).

the command
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

More information about the gromacs.org_gmx-users mailing list