Assign a surface layer of a group .

Hi all,

I want to generate a fcc surface 111 with multiple layers. 
I created a surface that is composed of 3 layers, however, 
I would like to know how I can assign the atoms of each 
layer to a specific group . Eg groups layer1 , layer2 , etc ...
I see that the only way would be to generate a region for each
 layer , however , it seems a bit cumbersome if you need 
more than 3 layers.

The reason for doing this is that I want to apply a different 
thermostat at each layer.

Any recommendation?


The group command tells you all the ways to assign atoms to

groups. There can only at most 32 groups. Regions seems

reasonable. You could also assign different atom types

to different layers, then types -> groups. I’ll also not that

compute temp/profile or compute temp/chunk can also be

used with thermostatting and can both bin up atoms spatially.

That would be a model where you used a single thermostat

but let it act differently on different layers of atoms, which

may not be what you want.