Dear Lammps users ,

I want to calculate confined water viscosity at different pressures .
I was wondering if I can use NPT/Couple for this work .

Please let me know your idea about that.


You can use fix npt to equilibrate any simulation to
a desired pressure. What you measure from the
simulation (e.g. viscosity) is up to you.


Dear Steve ,
Thanks for your reply .
Actually the important thing that i wanted to know by this Email was about using COUPLE with NPT simulation .
The couple keyword allows two or three of the diagonal components of the pressure tensor to be coupled , now I want to know can it affect on liquid viscosity ?

Thanks for your attention .

I suppose anything you do with pressure or temperature control could

affect the measured viscosity. I think you should choose your barostat

conditions to model the physical properties of your system, then

just measure the viscosity. And you can do the test yourself, turn

on/off couple and measure the difference in viscosity.