pair coefficients

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1

Hi dear users
I want to simulate a charged sphere that only it’s diameter, charge and density is known. I use lj/cut/coul/long pair style, How can I find suitable pair coefficients (sigma & epsilon) for this simulation?
Best regard
Nich Nack

2

Hi dear users

I want to simulate a charged sphere that only it’s diameter, charge and density is known. I use lj/cut/coul/long pair style, How can I find suitable pair coefficients (sigma & epsilon) for this simulation?
Best regard
Nich Nack

3

Hi dear users

I want to simulate a charged sphere that only it’s diameter, charge and density is known. I use lj/cut/coul/long pair style, How can I find suitable pair coefficients (sigma & epsilon) for this simulation?
Best regard

If you don’t have enough properties to compare to, how would it be possible to generate model parameters?

In general, it is difficult to give advice so little context. If my hunch is right, it may even be that your choice of potential is not an ideal one.

Axel