[lammps-users] breaking bonds between atoms in LAMMPS

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1

Hello everybody,

I would like to know how to break bonds between specific atoms in a chain of atoms (say I would like to keep all bonds except for the bond between atoms 2 and 3).

I think that the fix break/bond command http://lammps.sandia.gov/doc/fix_bond_break.html should be appropriate here, however, I am not entirely sure how to do this for specific bonds.

Thank you very much in advance!

2

Fix bond/break is for breaking bonds dynamically during a running
simulation based on a distance criterion (as they stretch too far).

The delete_bonds command can be used to whack specific
bonds in between runs. See the doc pages for both commands
for details.

Steve