Dear all
I need to use the fix bond/break command to break some bonds in my simulation, but I don’t know how to extract the broken bond information every time it check for the broken bonds. I read through the compute local and dump local, but still puzzled, is there any possibility to achieve this. Thanks very much and I really appreciate any suggestions.
Best regards
Yihua Zhou
Dear all
I need to use the fix bond/break command to break some bonds in my
simulation, but I don't know how to extract the broken bond information
every time it check for the broken bonds. I read through the compute local
and dump local, but still puzzled, is there any possibility to achieve this.
yes. it is trivial. RFTM again and then use compute property/local.
broken bonds have a negative type.
simple as that.
axel.