MolSSI Workshop II – MD trajectory analysis and visualization

22 Jul 2017
16:15 - 17:45
Thomas Room, Trone Center

MolSSI Workshop II – MD trajectory analysis and visualization

Introduction to MD (cont.); basic MD trajectory analysis and visualization with OpenMM

During the workshop you will learn some basics of running and analyzing molecular dynamics simulations using OpenMM and MDTraj, how to use GitHub as a repository for software, how to make modifications to these software packages, and how to submit those changes for inclusion in the GitHub repository. Paul Nerenberg (California State University, Los Angeles), Lee-Ping Wang (University of California, Davis), and Theresa Windus (Iowa State University) will lead you through hands-on exercises and simulations. Each student is expected to bring their own laptop and to complete an interactive, free Python tutorial before the workshop. Specific reading, software download (+ installation) instructions, and instructional materials will be provided after registration.