Hi everyone,

I want to analyze the contribution of electrostatic energy to the total potential energy. First, I build three test models (more positive charges, more negative, and neutral), the simulation time is short, because I just want to know the meaning of positive and negative values. I think the same charge shows repulsion, but the electrostatic energy of all three results is negative values. How to explain it?

Then, the formal simulation results are analyzed (the system is electrically neutral). Separately put forward the positive and negative parts to analyze the energy, the results of the electrostatic energy of both are positive values, what is meaning of the positive and negative electrostatic energy, Is it positive for repulsion and negative for attraction?

The xtd file was too big, so I post a part of it.

Thank you.