- ID为10、25、50以及500到1000（含）:
group sub id 10 25 50 500:1000 - 原子id≤50:
group sub id <= 150 - MoleculeIdentifier在50到250之间（含）:
group polyA molecule <> 50 250 - include style with its arg molecule adds atoms to a group that have the same molecule ID as atoms already in the group:
group hienergy include molecule - All atoms that belong to the first group, but not to any of the other groups are added to the specified group:
group boundary subtract all a2 a3 - All atoms that belong to any of the listed groups are added to the specified group:
group boundary union lower upper - Atoms that belong to every one of the listed groups are added to the specified group:
group boundary intersect upper flow
参考资料: lammps command reference: group command
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