Thank you for your replies, indeed it worked! But now, I'm looking for a command line that allows me to calclulate the RMSF (or if you prefer, the distance between Calpha) between 2 static structures.
Carla On Thu, Feb 25, 2010 at 11:55 AM, Amir Marcovitz <amarcov...@gmail.com>wrote: > 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 >> > > > -- > 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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