htf-tinker

Development and testing the HybridTopologyFactory from OpenFE to improve dummy-core interactions.

Goals

• Create a minimal example of using the HybridTopologyFactory (HTF) from OpenFE.
• Test and debug the HTF with simple systems to understand its behavior.
• Explore the interactions between dummy atoms and core atoms in alchemical transformations.
• Document findings and potential issues for future reference.