Materials Studio file to Lammps data file conversion warnings - 计算化学公社

Hello teachers, I would like to ask about the warnings that occur when you convert the Material Studio exported model files into Lammps data file using the msi2lmp command.

I am doing a simulation study on C-S-H with the CLAYY FF potential. After the modeling, to proceed with my simulation in Lammps, I need to get the model data file, which I have done by applying the CLAY FF potential through Materials Studio and exporting the car and mdf file, and then I have used the msi2lmp command in Lammps to get the data file. But the problem is that I have gotten some warnings throughout the process. Could you please provide me with some guidance on how to solve these issues? Below I have attached a picture for your reference.