Hi all,
I was wondering if fix/bond create takes into consideration periodic boundaries when computing distances btw. atoms…
After a couple of test cases it seems like it does, but maybe I made a mistake.
Do you happen to know?
regards,
frank.
Hi all,
I was wondering if fix/bond create takes into consideration periodic
boundaries when computing distances btw. atoms...
After a couple of test cases it seems like it does, but maybe I made a
mistake.Do you happen to know?
whether PBCs are honored depends on your choice of boundary settings.
axel.
And if the boundary is periodic, fix bond/create
will check atoms across that boundary and
form bonds if they meet the other criteria.
Steve