Hi Valentina, Check position_restraints (chapter 5). These are used in standard MD during equilibration, so you can check any tutorial protocol on how to use them.
Hope it helps, Tsjekr On Mon, Oct 10, 2011 at 9:22 AM, auryn_vale...@libero.it <auryn_vale...@libero.it> wrote: > Hi to everybody!!! > > I'd like to know if it is possible to "simulate" with gromacs a crystal > lattice where the atoms are just kept "almost fixed" in their > crystallographic structure positions and they are allowed just to vibrate > around this positions. This is not a real MD simulation but I need it just > to calculated radial distrubution function among the atoms in the crystal. > > Tahnk you in advance > > valentina > > -- > 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. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands -- 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
