Dear Dr. Dubbeldam,
I am getting the same error too. Like what you explained, the error happened as the number of adsorbates increased. When the number of adsorbates is low, it works well. But when the number of adsorbates is large, like 2500, the error appeared. In the forcefield I use, hydrogens did have no lennard-jones potential. How can I solve this warning? Should I change the forcefield or just run a larger simulation cycle?
Thank you!.
Jiang