[CP2K-user] [CP2K:22262] Modelagem molecular com zeólitas

Thiago Vieira Paulo thiago.pauloufma at gmail.com
Thu Jun 4 16:20:12 UTC 2026


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!

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