江苏江阴农商业银行股份有限公司J47.pptVIP

Molecular Mechanics Part 2;Energy Minimization;Potential Energy Surface;PES and Energy Minimization;Approaches to Global Minimum;Input File Structure;PDB (protein data bank) file of propane (C3H8);…bottom of .PDB file;Cartesian coordinate (XYZ) file;Internal Coordinates (for NH3);File Interconversion Methods;Uses of “Steric Energy”;Successes of Molecular Mechanics Calculations;Successes of Molecular Mechanics...;Limitations of Molecular Mechanics;MM2 Atom Types (more than 60!);Uses of Molecular Mechanics;Caveats about Minimum Energy Structures;Molecular Mechanics Glossary;Glossary...;RfNcK9H