[lammps-users] About delete molecule

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1

Dear LAMMPS users,

I am wondering whether LAMMPS has the direct way to delete complete molecules, similar to “delete_atoms” command. Then, the code can automatically delete the corresponding bonds, angles, dihedral… of the deleted molecules.

Most appreciate for your help.

Best
Yajie

2

no, if you mean some random fraction of molecules.
But if you define a group that contains entire molecule(s)
and delete that, then I think it would work

Steve