Hello,

I'm currently trying to model a ZIF-8 structure in Materials Studio 2024. I can see that ZIF-8 structure is in periodic boundary condition to maintain its 0 net charge. However, I consider using it as a "molecule" and construct a system containing several ZIF-8 structures via AC module. That means I will need to cancel its PBC right? In the pictures I attached here, I can modify the model from periodic one to non-periodic, but it won't give 0 net charge with Universal force field. I wonder if anyone knows how to deal with this issue or if there is anything wrong with such operation. By the way, it seems COMPASS III is not compatible with ZIF-8 structure due to Zn2+. Is there a better force field other than Universal? Any suggestion will be appreciated.

(Attached are the original ZIF-8 model and the one removing PBC, thanks.)