Hello
My simulation has very big molecules.
I used periodic boundary condition.
When a part of molecule across the boundary,and re-enter the other end,new bonds have been made.
I don’t want to make new bonds.
can you help me?
Hello
My simulation has very big molecules.
I used periodic boundary condition.
When a part of molecule across the boundary,and re-enter the other end,new
bonds have been made.
how do you determine this???
I don't want to make new bonds.
i would seriously doubt that this is actually
happening. for a more accurate comment, you
need to tell us more details about your input.
LAMMPS doesn't create any new bonds that aren't listed
in your data file. A particular bond may overlap the boundary
at various times, but that shouldn't matter.
Steve