converting Poltype2-generated AMOEBA parameters into standard (non-polarizable) Amber/gromacs files

[mmagithub]

Hi,
Thanks for developing Poltype2!

I’m currently generating ligand parameters with Poltype2, which of course produces Tinker/AMOEBA (polarizable) parameter files. However, I need to run simulations in a non-polarizable Amber environment (e.g., sander/pmemd).

Is there a known or recommended workflow for converting Poltype2’s AMOEBA-like parameters into standard, fixed-charge Amber formats (.prmtop/.frcmod)? Specifically:

• Are there existing scripts/tools or best practices to handle the bonded and nonbonded parameters for standard Amber usage?
• If no direct workflow exists, any guidance on how to derive partial charges or bonded parameters from the Poltype2 outputs (e.g., Tinker .prm/xyz files) would be very helpful.

Thanks,
Marawan

[leucinw]

AMOEBA and AMBER are using totally different functional forms for both covalent and non-covalent potential energy terms. I don't think they can be converted to each other. Please check AMOEBA and AMBER functional forms for a better understanding.