Hi Qasim, If you fit a trajectory, with trjconv -fit rot+trans, then each frame is fit onto the reference.
Hope it helps, Tsjerk On Tue, Jun 21, 2016 at 11:12 AM, Qasim Pars <qasimp...@gmail.com> wrote: > Dear users, > > From GROMACS online manual: > gmx confrms computes the root mean square deviation (RMSD) of two > structures after least-squares fitting the second structure on the first > one. > > My question is how GROMACS does least-squares fitting the second structure > (each frame of trajectory) on the first one (reference structure)? It > calculates the least-squares fitting of the second structure and the first > one seperately? > > Thanks for your helps. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Tsjerk A. Wassenaar, Ph.D. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
