(no subject)

Hello, Saikat:

Actually, you have quite a bit of flexibility in selecting and defining groups.

For instance, you could generate a list of randomly numbered atoms using a script, and then splice those atom numbers into your LAMMPS script. If needed for line-length requirements, you could split the list into multiple groups, and then use the “union” command to combine them into a single group overall.


PS: Please keep the list copied in replies.