Change 1 atom type at a time #13
Description
Hi all,
I am a new LAMMPS user and also of AutoMapper. I would need help to do a simple reaction that I can't find similarity of on the examples. One of the reaction is this one : if atom A is in range X of atom C, then A goes one step towards C (so to B state in a 3 states model).
I don't really know what I need to feed AutoMapper.py with to create this kind of reactions or even if AutoMapper is made to such kind of things.
Best regards,
Adrien