NPT , Tdamp-Pdamp

SaeeD_PourasaD · October 30, 2015, 12:09am

Dear LAMMPS users ,

I have a big system and I use lj units .

the time step is : 0.0005
this is my npt command :

fix 1 all npt temp 2.15 2.15 0.1 iso 20 20 1.0

Is Tdamp and Pdamp acceptable for my system ?
Do you have any other suggestion ?

Thanks for your attention.
Best,

Ray_Shan · October 30, 2015, 1:32am

The fix npt doc page provided some rules of thumb to choose the dampings.

Ray

Xiaolin_Xu · October 31, 2015, 4:30am

I was wondering what a BIG system is.
What is the unit style your are using?
You may check the doc for some explanations and hints.