'Internal coordinates' diaporamas de présentation

18_12afig_PChem.jpg

18_12afig_PChem.jpg. Motion of Two Bodies. w. Each type of motion is best represented in its own coordinate system best suited to solving the equations involved. Rotational Motion. Motion of the C.M. Center of Mass. Cartesian. r. r 2. k. Translational Motion. Internal motion (w.r.t CM).

1.23k views • 85 slides

Molmodel Workshop

Molmodel Workshop. March 21, 2008 Christopher Bruns. Schedule. 8:30-10:00 Molmodel examples 10:00-10:15 Break 10:15-11:30 More Molmodel examples 11:30 Lunch 12:00 Your projects. What is Molmodel?. Domain-specific modeling layer on Simbody Part of SimTK core libraries

449 views • 36 slides

An Optimization Approach to Protein Structure Prediction

An Optimization Approach to Protein Structure Prediction. Richard Byrd Betty Eskow Robert Schnabel Brett Bader Lianjun Jiang University of Colorado Teresa Head-Gordon Univ. of California, Berkeley Silvia Crivelli Lawrence Berkeley Laboratory. Problem Definition.

426 views • 31 slides

586 views • 25 slides

Specifying Molecular Electronic and Geometrical Structures

Specifying Molecular Electronic and Geometrical Structures. Parts I: Cartesian Coordinates. How to Construct Cartesian coordinates of an Atom in a Molecule. e.g., C 2v H 2 O. sp 3 hybridization of the O center. y. H1. H2. 104 ?. 0.9. O. x.

343 views • 25 slides

Molecular Mechanics Part 2

Molecular Mechanics Part 2. Potential Energy Surfaces Input File Types Successes, Limitations & Caveats Glossary of Terms. Energy Minimization. Local minimum vs global minimum Many local minima; only ONE global minimum

369 views • 20 slides