Is there a way to randomly delete pairwise interactions such as AIREBO? I know that this can be done with regular bonds. The neighbor modify command does not seem to be suited for this. I would like to introduce defects into a body by having AIREBO interactions randomly deleted.
Has anyone done this before?
-Emil
Is there a way to randomly delete pairwise interactions such as AIREBO? I
know that this can be done with regular bonds. The neighbor modify command
does not seem to be suited for this. I would like to introduce defects into
a body by having AIREBO interactions randomly deleted.
all bonds (or rather directional interactions) in AIREBO are implicit.
to introduce defects, wouldn't it be more realistic to just delete atoms?
axel.