Used to maintain planarity (e.g., in aromatic rings). 4. Usage Instructions To utilize the contents of psf.rar , follow these steps: Extraction:
Use a utility like WinRAR or 7-Zip to extract the .psf file from the archive.
Explicit values for each atom's mass and partial charge, used by the force field to calculate physical interactions. Connectivity Tables: Bonds: Explicit pairs of atoms that are chemically bonded. Angles: Triplets of atoms forming specific bond angles.