Hi, I am fairly new to LAMMPS. I am working on ethlyene and carbon dioxide adsorption in ZSM-5 (Si/Al = 47) using DFT, for which I need the orientation of the adsorbate molecule inside the adsorbent channel. I wanted to use MD to study the orientation inside the channel, but cannot figure out how to use TraPPE-zeo potentials in LAMMPS. What is the command line for that? and do we need to specify pair_coefficients separately? I tried using BKS + coulombic potentials but I couldn't find pair coefficients for Aluminum interactions?

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