Hi, all
I have two types of molecules (A=harmonic-bonded rod-like particle, B=plate-like particle (harmonic bonded)).
A penetrates B molecule almost always during simulation.
I tried to fix this problem by making B 2- or 3-layer system, but the penetration still occurred.
Adsorption between A and B may occur, but penetration is not supposed to happen.
Anyone have idea to solve this problem?
Thank you!!
Hi, all
I have two types of molecules (A=harmonic-bonded rod-like particle,
B=plate-like particle (harmonic bonded)).
A penetrates B molecule almost always during simulation.
I tried to fix this problem by making B 2- or 3-layer system, but the
penetration still occurred.
Adsorption between A and B may occur, but penetration is not supposed to
happen.
what you see in a simulation is the result of the model you choose.
if it doesn't do what you want, you have to adjust the model, e.g.
change the parameters. this is a problem of the simulation itself,
not lammps. you may be able to play tricks to keep the system
from doing what you don't want it to do, but that would void the
usefulness of the simulation/model, so i recommend against it.
axel.