Dear Prof. Kohlmeyer,
Thanks for your reply.
In lammps, if the unit was real, I calculated the energy-conversion constant C as:
I’m confused by the formula for potential in some MD paper based on LAMMPS. The interaction between atomic sites are expressed as
For the Coulombic potential, It seems that both of the energy-conversion constant C and the dielectric constant equal 1, which is different with my result. I don’t whether I have made a mistake, so I hope you can give me some explanation.