fix bond/break and atom types

Scripting to “analyze the topology” would be easier in my opinion.

For example you can extract the bonds section and the atoms section of data file (periodically write out data file or get the data file from a dump file) after a fix bond break run. Then compute distances of the atoms that belong to the bond type that have taken part in the bond breakage.

If you can identify “types of the atoms” that have taken part in the bond breakage it would become easier. Then you can use this information along with the set command to change those atom types to a different type.

Arun