[lammps-users] about cutoff of short-range interact

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1

Hi all,

with lammps, how to pick up a good cutoff for Lennard-Jones interaction. Suppose
the cubic box has the length L, is it nessessary to use a cutoff shorter than L/2 ?

Thanks.
adams

2

Hi all,

with lammps, how to pick up a good cutoff for Lennard-Jones interaction. Suppose
the cubic box has the length L, is it nessessary to use a cutoff shorter than L/2 ?

Thanks.
adams

3

The cutoff you choose is part of the physical model for what
you want to simulate. In LAMMPS it can be any length, independent
of the box size.

Steve