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[Lammps] Materials Studio file to Lammps data file conversion warnings

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本帖最后由 Maska 于 2022-8-17 20:11 编辑



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.
Best regards;
Maska

csh.jpg (172.3 KB, 下载次数 Times of downloads: 5)

csh.jpg

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