Dear all,
I am simulating a 2phase fluid model with a nanoparticle at the middle of the simulation box, I want to calculate the density of phase 2 in the liquid region using fix ave/ spatial command (I mean nnmber of phase 2 molecules in each bin divided by number of all atoms in each bin). How can I define the formula?
Kind Regards,
Fateme
Group phase 2 into one group, then use the density/number keyword of fix ave/spatial.
Ray
Thanks,
but I think in that case I get (number of phase two atoms in each bin) / ( number of all atoms) NOT (number of phase two atoms in each bin) / ( number of all atoms in each bin)
Am I right?
No, neither. What you get is explained in the doc page.
You can define two fix ave/spatial for different groups, then divide one by the other.
Ray