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LAMMPS running problem

#921Closedlaowang-os 创建于 2025-08-29
L
laowang-oscommented
**I wanna run a lammps minimize after a data file was generated by mbuild and gmso, but failed.** Here are the data generating script, data file, input file and log file. **script** [example_for_box.ipynb](https://github.com/user-attachments/files/22037861/example_for_box.ipynb) **data** [system_box.txt](https://github.com/user-attachments/files/22038421/system_box.txt) **input** [input.txt](https://github.com/user-attachments/files/22038423/input.txt) **log** [log.txt](https://github.com/user-attachments/files/22038428/log.txt) I appreciate for your time and consideration!!!
关闭于 2025-08-29 5 条评论