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.


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

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