atoms lost even i used fix wall/reflact command

hello all,

I have a problem regarding atoms lost. I equilibrated crystal at a certain temperature with periodic boundary condition. then I want to heat that crystal by applying fixed boundary condition in x and y and periodic in the z direction and I also used fix wall/reflect command so it only expands in the z direction. but while I start simulation atoms lost is showing. I am not able to figure it out why it is happening. please, can anyone tell me my mistakes in above procedure? I tried a lot to figure out.

hello all,

I have a problem regarding atoms lost. I equilibrated crystal at a certain
temperature with periodic boundary condition. then I want to heat that
crystal by applying fixed boundary condition in x and y and periodic in the
z direction and I also used fix wall/reflect command so it only expands in
the z direction. but while I start simulation atoms lost is showing. I am
not able to figure it out why it is happening. please, can anyone tell me my
mistakes in above procedure? I tried a lot to figure out.

difficult to say. there is not much useful information here. the usual
approach for issues with lost atoms, is to dump configurations
frequently and visualize the results to see what it happening.

but it almost sounds like you are confusing fixed dimensions with
fixed boundaries.

axel.