[lammps-users] Can Lammps assess the force required to keep an atom unmovable?

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1

Dear Lammps users,

Is there a way to measure the force required to hold atoms in a dynamics simulation?

Let's take a nanotube cantilever for example. When the nanotube is deformed, either stretching or bending, there must be a force exerted on the fixed end to hold it there. Then can we know how large the force is?

I usually use fix/setforce 0 0 0 to hold atoms in simulation. However, by doing this, reaction force cannot be measured as Lammps zeros out the forces.

Can anyone help me out?

Thanks a lot,

Ling

2

Fix setforce stores the force before it zeroes (changes) it.
The doc page describes how you can print out that vector
quantity.

Steve