Dear LAMMPS users,
I have a small doubt about box dimension in lj unit.
I am doing polymer simulation inside the box dimension of -5 to 5 in all x y z direction with periodic boundary condition.
When i do above things with real and lj units with appropriate conversion then the properties like end to end distance, radius of gyration and mean square displacement are same.
But when i do the same things with much larger box size -500 to 500 in all x y z direction so that atoms don’t need periodic boundary condition. The end to end distance and MSD values are different between lj and real unit.
According to theory end to end distance, mean square displacement should be independent of box dimension.
In real units it seems to be true but for lj units its not.
I don’t know why?
Institute of Mathematical Sciences