that is so comlex. You can download some similar cif file about MOFs and use that.

Thanks... Xiangjian Wang

I am facing some issue and I am new in simulation. I want to prepare a membrane using PDMS polymer along with certain percentage of ZIF-8 in it. For this I need only some part of ZIF-8 not the entire unit cell and for this I have to select some of the part but when I take out some of it part I am not able optimize its geomatery using compass I face the forcefield error . And if i use universal forcefield then when I make the membrane with pdms polymer the bonds lengths and angles of ZIF-8 changes and it becomes totally disorder. Please help me out if you have understand what problem I am facing. Waiting for your positive response

Dear Ali,

For MOF structures, you can use universal and dreiding forcefield and it depends on that these forcefileds cover the ZIF8 atoms or no. For using universal and dreiding forcefield, you must enter the charge of atoms in the ZIF8 structure to obtain the most precise results. For finding the charge of atoms, the Gaussian software is very useful.

I hope your problem will be solved.

Thanks Sara for your suggestion,

my query regarding the how to build the structure of MOF.

I am new to Materials Studio and engaged in self-training. I, however, need to know how to use the software to design/build Metal-Organic Frameworks. Any suggestions, please?