Hi 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 Lin _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
