Dear gromacs user Sorry, my previous question is absolutely wrong. I have simulated MD with wrong zeolite structure so far.
My question is now turned to find out the correct structure again... I obtained crystallographic data containing unit cell parameters and space group, several atom coordinate (6 O, 4 Si) from the web. Then, how to construct the unit cell structure using that information ?? I have to make 24Si, 48O system according to the information described in CIF file. Is it possible by gromacs ? Or other program is preferred? please help
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