[lammps-users] Gay-Berne potential

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1

Dear all,

Using the Gay-Berne potential for discotic particles, instead of ellipsoid, I am confused about the parameters, such as the epsilon_i_a

epsilon_i_b, epsilon_i_c. Anybody please tell me how to map them to the shape of the particle in term of x y z directions?

Thanks a lot!

with best wishes,
Zhenlong

2

The epsilon params correspond to the 3 axes of the particle, which
can be oriented at any x,y,z direction.

Steve