Dear All,
I am trying to simulate many molecules and use “delete_atoms” if some molecule is in malfunction. However, I just learned that “group” command has a limit of 32, which is way below my molecule number. Is there anyway to solve this problem ? Thank you.
Best,
ML
Dear All,
I am trying to simulate many molecules and use "delete_atoms" if some
molecule is in malfunction. However, I just learned that "group" command has
what is "a molecule in malfunction"?
and how would this be related to delete_atoms?
a limit of 32, which is way below my molecule number. Is there anyway to
solve this problem ? Thank you.
no. not without a massive rewrite of LAMMPS. this topic has been
discussed on this list many times (search the mailing list archives!)
and usually the outcome was that people are doing something that
should be done differently.
you will have to explain in more detail of what kind of system you
are simulating and what you are trying achieve.
cheers,
axel.