MMFF VI. MMFF94s option for energy minimization studies

MMFF VII. Characterization of MMFF94, MM

MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interaction energies and geometries

✍ Halgren, Thomas A. 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 364 KB

This article provides extensive comparisons for the MMFF94, MMFF94s, CFF95, CVFF, MSI CHARMm, AMBER U , OPLS U , MM2 U , and MM3 U force fields to experimental and high-quality ab initio data for conformational energies and to scaled ab initio data for hydrogen-bonded complexes. Some comparisons are