Help needed with AutoMapper and system.in.settings file

Hello,

I am trying to use the automapper tool to simplify the process of writing molecular templates. However, I am confused about the requirement for an A coefficient file that contains all the forcefield information when using automapper.

I have noticed that when I construct structures before and after a reaction, the force field information in their system.in.settings files is different and not in the same order. How can I use only one system.in.settings file or keep it consistent when using automapper?

Automapper sample commands: AutoMapper.py . clean pre-reaction.data post-reaction.data --coeff_file system.in.settings

Any help or advice on how to resolve this issue would be greatly appreciated. Thank you in advance!

There is no AutoMapper.py file in the LAMMPS distribution. So what file taken from where are you asking about?

Thank you for your response.
Automapper is a Python script from this website (GitHub - m-bone/AutoMapper: A package of tools for automating the file preparation for the LAMMPS fix bond/react.). I’m puzzled about how to use the same force field file to generate molecular templates when changes occur in the structure file and the corresponding system.in.setting file generated by moltemplate also changes.

You are posting to the wrong forum. You need to contact the author of that package. The fact that it is for use with LAMMPS doesn’t make it a LAMMPS feature and a topic for this forum. Thus your post it off-topic here.