Dear Lammps users,
I have been running NEB calculations for some time and one of the lines in my script where I define the spring constant is as follows:
"fix 1 all neb 10"
Then I realized that I can add perpendicular components of the force in this script when I went through the Lammps documentation. I change the above line to
"fix 1 all neb 10 perp 10"
The NEB script was working fine in first case but when I added perpendicular component then it gives the output as "illegal NEB command". I tried all the commands given in the documentation but none of them worked. And when I using "fix 1 all neb 10" then it works completely fine. It is really perplexing. Is there anything that I should take care of while adding the perpendicular component ?