Thanks Mark , I got it now ....:)
On Thu, Sep 20, 2012 at 3:06 PM, Mark Abraham <mark.abra...@anu.edu.au> wrote: > On 20/09/2012 7:31 PM, tarak karmakar wrote: >> >> Dear All, >> >> I need to plot a specific dihedral in my protein and I have to >> see how it is changing with time. So while doing that I have created a >> new group for that specific dihedral by taking corresponding 4 atoms. >> Now, how could I specify this dihedral present in the index file while >> running g_dih program, as I see in the online manual options are as >> follows >> >> g_dih -f traj.xtc -s topol.tpr -o dih.out >> >> And it essentially gives the statistics of all the dihedrals. > > > g_angle -type dihedral is probably more like what you want. > > Mark > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists -- Tarak Karmakar Molecular Simulation Lab. Chemistry and Physics of Materials Unit Jawaharlal Nehru Centre for Advanced Scientific Research Jakkur P. O. Bangalore - 560 064 Karnataka, INDIA Ph. (lab) : +91-80-22082809 -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
