I have been trying to do a simulation of LJ particles on a spherical surface . I am using the following command in the input script:
fix 1 all nvt temp 1.0 1.0 50.0
fix 2 all nvt/manifold/rattle 1e-4 100 sphere 6.1 temp 1.0 1.0 50.0
But I am getting the this error:
ERROR: Failed to constrain atom 146 (x = (5.565618, 2.478572, 0.300970)! res = 6.250000e-02, iters = 100
Please help. I am new to LAMMPS.
Also, is there any other way to do MD simulation on the surface of a sphere using LAMMPS?
Thanking you in advance,