You could load your gro and trr file into vmd, label the angle, save the file and plot using excel.
Oly On 28 April 2010 22:26, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Nilesh Dhumal wrote: > >> Hello, >> I am doing solvation of glucose. I am trying to calculate a angle between >> three selected carbon atoms. >> If I run g_angle using angle.ndx file it consider all carbon atom. In >> force field C-C-C 112.5 is specified so it’s making a group of all carbon >> atoms. I am interested in selected carbon atoms. >> How can I plot an angle of selected three carbon atoms? >> > > Make an appropriate index group, which it doesn't sound like you've done. > If there's a specific angle you want to measure, you don't even necessarily > need make_ndx, just write the group using a text editor with the appropriate > atom numbers. > > -Justin > > >> Thanks >> >> Nilesh >> >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > > -- > 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
