[lammps-users] About delete molecule

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.


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