If the water is already in the gap, delete it, or move it out of the bilayer.
What I meant was: If you start the equilibration all over again, try increasing the force constants of the restraints on water along the bilayer normal. On 19 Nov 2007 11:52:49 +0000, N-J.M. Macaluso <[EMAIL PROTECTED]> wrote: > Do you mean constrain the force constants just in the z-direction? Keep in > mind that the water is already in the gap, so it's now a matter of getting > it out. Would constraining water in any direction accomplish this? > > Thanks, > > Max > > > On Nov 19 2007, himanshu khandelia wrote: > > >> I already constrained the waters in the z-direction > >> at the start of the simulation, so that didn't work in this case. > > > >This happened to me as well. Try increasing the force constants on > >water by an order of magnitude. > > >_______________________________________________ > >gmx-users mailing list gmx-users@gromacs.org > >http://www.gromacs.org/mailman/listinfo/gmx-users > >Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
