Dears lammps users
I am facing a problem with structure of molecules when I increase the density some atoms will separate from molecules and I don’t know how I fix it? any advise or help please?
regards
Your question reminds me of a joke:
Patient: Doctor, doctor, it hurts when I do this!
Doctor: Well, don’t do it, then.
But seriously, did you resolve any of the issues that I mentioned in my response to a previous post of yours? Most of those could be contributing to symptoms like this.
In general, it is often not worth to try and suppress symptoms. That won’t produce valid trajectories. You need to understand the underlying cause and address that. Otherwise you would be doing just a computer animation and not a simulation.