[gmx-users] How to add motion of center of mass into temperature coupling?

[李亚东]

Hello All,

  I am studying amino acid diffusion in water flow.

I first tried to add y direction acceleration to all water molecules while
fix center of mass of the system. But found water molecules do not diffuse
in the y direction.

Then I tried to remove center of mass correction by setting comm-mode=None.
Then I found water molecules just keep accelerate in the y direction, which
I thought, is not quit physical.

My question is: *How to add motion of center of mass into temperature
coupling, so that the water molecules can form a steady flow in y
direction.*



Sincerely,

         Yadong