[lammps-users] problem implementing inactive bonds

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1

Hi. Continuing from the "bond-swapping" post of a few days ago..

I try to set the initial, inactive, bonds between chain ends to type 0. But this gives the error "Invalid bond type in Bonds section of data file." This error is generated on line 783 of atom.cpp. However, bonds are set to type 0 in bond_quartic.cpp, and there doesn't seem to be anything special in neigh_bond.cpp preventing a bond from being type 0. Is there a reason bonds can't be set to type zero (i.e. inactive) at the beginning of a run? What changes do I need to make to allow this?

Thanks,
Rob

2

I'd use the delete_bonds command to turn off bonds after
you've read them in.

Steve