LAMMPS running problem
**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