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