Now, I want to simulate a system similar to active overdamped motion, so I modified the Langevin source code to achieve overdamping. The system contains 637 rigid body molecules, each composed of three spheres with dipole moments. The middle sphere has dipole moments along the water plane for self propulsion, and the two spheres have dipole moments along the z-axis for dipole interaction,
fix rigid/nve/small molecule langevin +
fix viscous/sphere +
fix propel/self +
fix enforce2d
But the running results showed that the dipole moment direction of the balls on both sides is not always along the z-axis direction (I hope its size and direction are always along the z-axis unchanged), and the position of the atomic z-axis is not completely zero. I want to know why, even though it has been set to two dimensions, and how to keep the dipole moment of the balls on both sides always along the z-axis unchanged
in.splangevin.lmp (2.2 KB)
dipole.data (130 Bytes)
all.xyz (3.8 MB)