The manual does discuss restraining to a plane, but this must be the plane in which the atom is already present.
[ position_restraints ] ; ai funct fc ... 3 1 1000 0 0 How about restraining the atom to some other plane? For example, how about restraining a phosphate group initially at the lipid-water interface to the bilayer center (for whatever fancy reasons) ? Won't this require pulling the atom to that plane first? If it can be achieved using the position restraints alone, it is not clear to me how to do this? -Maria On Tue, Sep 7, 2010 at 12:53 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > maria goranovic wrote: > >> I want to restrain certain atoms of my simulation to the plane >> perpendicular to the bilayer normal, and at the bilayer center. Can someone >> please provide a quick guide on how to do this? I read the pull-code >> options, but restraining to a plane did not seem possible? >> >> > You can restrain atoms to a plane using position restraints. See the > manual for an example. > > -Justin > > > >> >> -- >> Maria G. >> Technical University of Denmark >> Copenhagen >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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 > -- Maria G. Technical University of Denmark Copenhagen
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