Dear all lammps-users,
There are 100 hexadecane molecular in the system. Now I need to measure the direction of every chain to check whether some of them are parallel. I used the end to end atom coordinates to represent the vector of each chain. The problem is that I cannot use the atom coordinates to measure the direction when it exceed the box periodic boundary. I have tried to use unwrapped atoms, but seems like the molecular distribution is different from wrapped atoms.
Does anyone can help me to solve this problem? Thank you very much.