[gmx-users] Creating a temperature gradient in water
erik.marklund at kemi.uu.se
Tue Jan 10 16:16:28 CET 2017
Do you use pbc? If so, how does that work with your gradient?
> On 10 Jan 2017, at 15:00, ibrahim khalil <ibrahim.khalil.chem at 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
> 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-request at gromacs.org.
More information about the gromacs.org_gmx-users