Fix move question

Hi,

I am using fix move command with wiggle style to move a small block of atoms in the domain to observe the energy propagation.

However, the document says under description, “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.”

Is there a way to move a block of atoms in sinusoidal manner and observe how atoms interact with each other (by taking into account forces)?

I tried displace command as well but sinusoidal input was not in the option.

Thanks,

Jay

Hi,

I am using fix move command with wiggle style to move a small block of
atoms in the domain to observe the energy propagation.

However, the document says under description, "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."

Is there a way to move a block of atoms in sinusoidal manner and observe
how atoms interact with each other (by taking into account forces)?

​you have to explain in more detail how your system is set up (a sketch
would help a lot) and which atoms you want to move how.
fix move follows the imprinted motion​ and thus - by necessity - will
ignore the forces on the atoms it moves. however, that does not mean that
those atoms do not interact with all *other* atoms.

I tried displace command as well but sinusoidal input was not in the
option.

​no, because this is a one time operation and not something that moves
atoms at every step.​

​axel.​