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I am trying to run an MD simulation using this generalized version of Lennard Jones.

$$ U(r) = \left(\frac{r_0}{r}\right)^A -\frac{A}{B}\left( \frac{r_0}{r} \right)^B $$

However, I do not know how to implement this potential in Lammps.

I have been going through the manual and, as far as I cal tell, this potential isn't in there. All you can choose between is 9-6 or 12-6 for the exponents.

Hopefully, one can get around the problem without extending any c++ classes.

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The Lennard-Jones potential is a special case of the Mie potential, which is available in LAMMPS.

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