in R.E.D. IV version June 2010
| * Charge reproducibility further developed | |
| Rotation, translation & reorientation are differentiated | [Released July, 2010] |
| * Building of force field libraries & FFTopDB | |
| Compatibility with chemical elements up to Bromine (Z = 35) | |
| Extension to all chemical elements straighforward | [Contact us if needed] |
| - Ligands & small molecules | [Released] |
| - Protein residues | [Released] |
| - Nucleic acid resides | [Released] |
| - Oligosacharide residues | [Released] |
| - Co-factors | [Released] |
| - Metal complexes | [Available, but not specifically released] |
| - Multiple FFTopDB | [Released July, 2010] |
| (FF = Force field; FFTopDB = complex FF topology database) | |
| * Fragment reconstruction | |
| - Terminal fragments of amino-acids | [Released July, 2010] |
| - All fragments of nucleotides | [Released July, 2010] |
| * Handling of "inter-molecular charge equivalencing" (used in the charge fitting step) | |
| - Two different implementations | [Released] |
| * Building of united-atom force field libraries & FFTopDB | |
| - Three approaches | [Contact us if needed] |
| - Two other approaches | [Under development] |
| * Extension of the number of fragments | [Released May 2012]  |
| * Rounding off error correction of charge values | [Released May 2012] |
| * Statistics module & charge value validation | [Released July, 2010] |
| * q4md-forcefieldtools charge models | [Not released] |
| * Recognition of QM geometry optimization outputs | |
| - Jaguar | [To be coded] |
| - NWChem | [Not released] |
| - Q-Chem | [To be coded] |
| - Turbomole | [To be coded] |
