calculation of force on the wall

Dear Steve, Users,

I want to track the force experiened on the moving wall because of the
atoms surrounding atoms. I am using fix move command to move the wall.
The manual says the the force on these wall atoms are disregarded.
Please see below

This is what I find in fix move command.

"Perform updates of position and velocity for atoms in the group each
timestep using the specified settings or formulas, without regard to
forces on the atoms. This can be useful for boundary or other atoms,
whose movement can influence nearby atoms. "

I wanted to ask how I can get an estimate of the force experienced on the wall.

I am tempting to use compute group/group command (defining wall and
the surrounding atoms are two seperate groups) but that could slow
down my simulations. Can I use setforce, aveforce fix and then dump
about the values in thermo_style. Please guide.

Best Regards,
Vikas

Dear Steve, Users,

I want to track the force experiened on the moving wall because of the
atoms surrounding atoms. I am using fix move command to move the wall.
The manual says the the force on these wall atoms are disregarded.
Please see below

This is what I find in fix move command.

"Perform updates of position and velocity for atoms in the group each
timestep using the specified settings or formulas, without regard to
forces on the atoms. This can be useful for boundary or other atoms,
whose movement can influence nearby atoms. "

I wanted to ask how I can get an estimate of the force experienced on the wall.

I am tempting to use compute group/group command (defining wall and
the surrounding atoms are two seperate groups) but that could slow
down my simulations. Can I use setforce, aveforce fix and then dump
about the values in thermo_style. Please guide.

how about the following?

use neigh_modify to exclude all internal force computation
inside the group of atoms that form your wall(s).

use compute reduce to reduce forces on wall atoms into
a total force on the wall(s)

axel.