Hello everyone, I’m having some problems with Reaxff using lammps, my purpose is simulated pyrolysis of coal macromolecules, but I’m getting an error of Non-numeric atom coords - simulation unstable, please guys how can I solve this problem, thank you all for your help!I use MS as a software for modeling
Hard to say without more details. It could be bad topology, poorly set up ReaxFF, wrong choice of ReaxFF parameters…
This typically means your simulation blew up, i.e. two atoms exploded apart faster than LAMMPS could track. Many, many previous threads here discuss the possible causes.
thanks for u reply
Thanks for u reply