Yes, I attached the H on O in Materials Studio.
I can generate the data file by hand(write small code) for the SiO2 surface from the XYZ format configuration. No need describe the bond connection in the data file,since Si and O are fixed. But for Si-O-H, there has bond connection for O-H. So I need find the two IDs then build bond ID. I wonder whether it has any lammps package to solve this problem.
王冬博 <[email protected]…1193…> 于2019年5月9日周四 下午5:31写道：