Hi, if you are interested in a particular angle (between a triad of atoms) you can specify it in angle.ndx file (to generate the angles run: mk_angndx -s topol.tpr -n angle.ndx)
the -ov flag of g_angle will generate the angle trajectory and the -od flag will generate its distribution cheers On Wed, Feb 24, 2010 at 10:22 PM, Carla Jamous <carlajam...@gmail.com>wrote: > Hi everyone, > please I'm trying to find a way to calculate the value of an angle during > the time of my simulation. g_angle calculates a distribution or an average. > > Thanks, > Carla > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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