Hi, I am trying to understand what is the difference between g_rms and g_rmsdist commands. I have looked at the manual and all I can find is that:
*g_rms*: The root mean square deviation (RM SD) of certain atoms in a molecule with respect to a reference structure can be calculated with the program g_rms by least-square fitting the structure to the reference structure (t2 = 0) and subsequently calculating the RMSD * g_rmsdist*: Alternatively the RMSD can be computed using a fit-free method with the program g_rmsdist What fit is this referring to ? Thanks a lot for your answers. Nawel -- *Mlle* Mele Nawel Master 2 In Silico Drug Design University of Paris Diderot/Strasbourg -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
