'Vmd visual molecular dynamics' presentation slideshows

712 views • 61 slides

Chapter 8 Proteomics

576 views • 45 slides

Software Demonstration and Course Description

Software Demonstration and Course Description. P.N. Lai. Presentation Flow. MPICH and SPRNG mpiJAVA Gaussian AMBER VMD Recurring High Performance Computing Course. MPICH and SPRNG. Himalaya Option Pricing using Monte Carlo and Quasi Monte Carlo Simulation

122 views • 12 slides

Case Studies

Case Studies. Class 5. Computational Chemistry. Structure of molecules and their reactivities Two major areas molecular mechanics electronic structure theory Basic types of calculation Computing the energy of molecular structure Performing geometry optimization (1st derivative)

111 views • 10 slides

Introduction to VMD (Visual Molecular Dynamics)

Introduction to VMD (Visual Molecular Dynamics). Dr Karina Kubiak - Ossowska High Performance Computing Support Team Department of Physics e-mail: karina.kubiak@strath.ac.uk. VMD. VMD web page: http://www.ks.uiuc.edu/Research/vmd/

247 views • 4 slides

Folding of Distinct S equences into Similar F unctional Topologies

Folding of Distinct S equences into Similar F unctional Topologies Hossein Mohammadiarani and Harish Vashisth (Advisor ) Department of Chemical Engineering, University of New Hampshire, Durham, NH. Abstract. MD Simulation Parameters. Folding Trajectory.

147 views • 1 slides