Hi, as an alternative of applying position restraints to only the y-component, one can also define a freeze-group only to act on the Y-axis by using:
freezedim N Y N see: http://manual.gromacs.org/online/mdp_opt.html#neq freezegrps and freezedim Oliver On Fri, May 11, 2012 at 7:39 AM, Erik Marklund <er...@xray.bmc.uu.se> wrote: > > 11 maj 2012 kl. 14.38 skrev Steven Neumann: > > Dear Gromacs Users, > > Is there any way in Gromacs which will allow me to contraint some of the > atoms in the system to move only in the coordinate X and Z? I do not want > some of my atoms to move in Y direction. Do you know how to do this? > > > Hi, > > Not exactly. But you can apply position restraints with zero force constants > in X and Z directions. This will allow some movement in the Y direction, > but the extent depends on your force constant in the Y direction. > > Erik > > Steven > -- > 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 > > > ----------------------------------------------- > Erik Marklund, PhD > Dept. of Cell and Molecular Biology, Uppsala University. > Husargatan 3, Box 596, 75124 Uppsala, Sweden > phone: +46 18 471 6688 fax: +46 18 511 755 > er...@xray.bmc.uu.se > http://www2.icm.uu.se/molbio/elflab/index.html > > -- 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
