I am running a simulation on lammps and i am getting a LAMMPS WARNING: Bond/angle/dihedral extent > half of periodic box length. How to rectify it?

26 September 2023 1 9K Report

LAMMPS WARNING: Bond/angle/dihedral extent > half of periodic box length. How to rectify it?

Hello,

You need to check your design file as well as you can try to enlarge your simulation box (i.e., double the simulation, which can remove dipole−dipole interaction between periodic replicas). The following article can help to understand the dipole−dipole interaction between periodic replicas.

-Langmuir 38.23 (2022): 7244-7255.

Thank You.

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