Dear lammps community,
I am trying to modify the LJ potential such that the minimum is shifted
to approximately 0.97 sigma. Now having produced the output in
mathematica, I am puzzled. Forces are incredibly high (see attached), and obviously,
simulations won't run. But now I am facing a problem: How do I know
the "appropriate" value for force that will be tolerated? For instance,
is there an example of a tabulated basic LJ potential to which I could
In the attached file, epsilon is 10, and r_min is ~0.96 sigma. I am
looking forward to any suggestions!
Many thanks again for your contribution & help!