Hi Nawel, g_rmsdist calculates the RMSD of distances, and distances are invariant to translation and rotation.
Cheers, Tsjerk On Sun, Jun 2, 2013 at 1:45 PM, Nawel Mele <nawel.m...@gmail.com> wrote: > Hi, > > THanks for your answers. I already seen the help for this command but when > its write > "g_rmsdist computes the root mean square deviation of atom distances, which > has the advantage that* no fit is needed* like in standard RMS deviation as > computed by g_rms" what mean excatly "no fit is needed"?? > Because when you compute a RMSD calculation its necessary to align the > structure so I am a bit confused when its write "no fit is needed". > Fit is processed directly by the command? > > I am sorry I am little confused. > > THanks a lot > > > 2013/6/2 Mark Abraham <mark.j.abra...@gmail.com> > > > See g_rmsdist -h > > > > Mark > > > > > > On Sun, Jun 2, 2013 at 12:29 PM, Nawel Mele <nawel.m...@gmail.com> > wrote: > > > > > Hello everyone. > > > > > > During the calculation of the rms with g_rmsdist command , the > reference > > > and the current structure are aligned before calculating?? > > > > > > Regards, > > > > > > > > > -- > > > *Mlle* Mele Nawel > > > Master 2 In Silico Drug Design > > > University of Paris Diderot/Strasbourg > > > -- > > > 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 > > > > > -- > > 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 > > > > > > -- > *Mlle* Mele Nawel > Master 2 In Silico Drug Design > University of Paris Diderot/Strasbourg > -- > 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 > -- Tsjerk A. Wassenaar, Ph.D. -- 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