Hello all,
Is there a way to ask lammps to show the number of 1-2 or 1-3 bonds present in the system? For instance if I have 2 water molecules, I have 4*(1-2) bonds and 2*(1-3) bonds if I’m not mistaken.
Thank you
Ali
Hello all,
Is there a way to ask lammps to show the number of 1-2 or 1-3 bonds present in the system? For instance if I have 2 water molecules, I have 4*(1-2) bonds and 2*(1-3) bonds if I’m not mistaken.
Thank you
Ali
When LAMMPS computes the special bonds (typically at
the beginning of a simulation) it outputs to the screen and
log file the counts of 1/2, 1/3, 1/4 bonds.
Steve