Particles on a spherical surface

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1

Hi,

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,
Mrinal

2

The USER-MANIFOLD package in LAMMPS is the only
way to simulation particles constrained to a surface,
like a sphere. Have you looked at the example scripts
in examples/USER for this package and tried them out?

If you are getting your error immediately it might be
that you are starting with your particles far away from
the surface.

Steve