How to define a "moving" wall/region

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A complex input script is like a program. You have
to debug it. You can use a dynamic (moving, etc) region
as a wall with fix wall/region. I suggest you start
with a simple spherical region by itself, dump atoms that are inside it,
verify it moves as you expect, then use it as a wall, visualize
how atoms interact with it when it is stationary, then try moving
it, viz some more, etc.

No one is better equipped to do this than you.

Steve

Dear all,

I want a potential wall with spherical shape that moves during the
simulation. For “fix wall/lj93” command, it is simply possible to define
the velocity of the wall while for “fix wall/region” there is no such an
option.

there are other ways to introduce a repelling sphere, too. you can use fix
indent (probably the most obvious option), and you could use a large
particle using pair style colloid and then apply fix move to do its time
integration.

axel.