Modelagem molecular com zeólitas

[Thiago Vieira Paulo]

Dear all, how are you all? I hope you're well! I'd like to know if anyone has done molecular modeling with zeolites using gromacs and calculations with CP2K? If anyone has done this, could you please share the optimized, validated, and tested topology with me? I would appreciate it if someone could do it for me. I'm looking to develop a study to separate some organic compounds using zeolites. Thank you!