[gmx-users] Creating a temperature gradient in water

ibrahim khalil ibrahim.khalil.chem at gmail.com
Tue Jan 10 15:00:31 CET 2017

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.

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