Dear all,
I have a simple query to be confirmed.
If I use fix aveforce command as
fix pressdown topwall aveforce 0.0 0.0 -1.0
it means that every atoms in topwall group will encounter 1.0 force along -z direction. Is it right? Or total force over the topwall group will be 1.0 along -z direction.
With best regards,
Pritam
What does the doc page say:
The existing force is averaged for the group of atoms, component by component. The actual force on each atom is then set to the average value plus the component specified in this command. This means each atom in the group receives the same force.
Steve
Dear all,
I have a simple query to be confirmed.
If I use fix aveforce command as
fix pressdown topwall aveforce 0.0 0.0 -1.0
it means that every atoms in topwall group will encounter 1.0 force along -z
direction. Is it right? Or total force over the topwall group will be 1.0
along -z direction.
it is trivial to confirm this yourself and i strongly recommend to do
that, so you have a better sense of what is happening.
set up three inputs starting from the same starting configurations and
have them each output coordinates and forces via dump custom and run
for just one MD step.
1) no fix aveforce
2) with fix aveforce 0.0 0.0 0.0
3) with fix aveforce 0.0 0.0 -1.0
now you can compare the forces in the 3 dump files and see what is
happening to them.
axel.