Dear Ibrahim, Do you use pbc? If so, how does that work with your gradient?
Kind regards, Erik > On 10 Jan 2017, at 15:00, ibrahim khalil <ibrahim.khalil.c...@gmail.com> > wrote: > > Dear gromacs users, > > I have a simulation box containing nothing but water (TIP3P). I want to > create a temperature gradient within water (ie. 300K in the left side and > 500K in the right side of the simulation box). > > I have successfully applied different temperatures to different groups in > my other simulations (for example, different temperatures for water and > proteins). > > How can apply different temperatures within the same group of liquids (in > my case, water)? > > Thanks in advance. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
