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

[Benson Muite]

Hi Jun,
Can you add a link to your image online rather than attaching it?
Benson



On Mon, Mar 16, 2020, at 10:25 AM, Jun Zhou wrote:
> 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.
> 
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