Non uniform grouping

Submitted by SHUBHAM AGARWAL on Tue, 02/08/2022 - 00:48

Hello
I am using LIGGGHTS-flexible fibres.
I my simulations I need to group certain atoms based on a spatially non uniform function. Since difficult to implement in LIGGGHTS directly, I plan to extract the atom IDs using a Python/Matlab script, then define grouping of those specific atoms. I have following two questions in this regard:
1) Is it possible to use group command such that I can group specific atoms read from a text file ?
2) What is the template to store atom IDs in such a text file ?

Any suggestions will be highly appreciated

Thanks
Shubham