Lin, This is manual stuff...:
http://www.gromacs.org/documentation/reference/online/g_angle.html So the first lines answer your question: g_angle computes the angle distribution for a number of angles or dihedrals. This way you can check whether your simulation is correct. With option -ov you can plot the average angle of a group of angles as a function of time. Which clearly (!) states that your first plot is a distribution of all angles measured over time for each dihedral in your set (piled together) and that your second plot calculates an average for your set of dihedrals for each frame. Tsjerk On Thu, Jul 3, 2008 at 1:02 AM, Chih-Ying Lin <[EMAIL PROTECTED]> wrote: > 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 > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ 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
