[gmx-users] Fwd: Problems with Non-equilibrium MD

[Jun Zhou]

Hi all,

I am using non-equilibrium MD to calculate the viscosity of the liquid by
applying a shear on xy direction. My problem is that when I observe the
trajectory of the simulation, I find only the box deformed and particles
did not change correspondingly, as shown in the attached image.

I also attached my mdp file, can anyone give me some suggestions? Thanks.

Regards

-- 
*Jun ZHOU*
Postgraduate Student ,
Room 117, Building 36
Department of Civil Engineering,
Monash University,
Victoria 3800, Australia.