MolSSI Workshop IV – Putting it all together

Putting it together: making a new feature in OpenMM, logging the changes with Git, and pushing them to GitHub
23 Jul 2017
10:15-12:00
THOMAS ROOM, TRONE CENTER

MolSSI Workshop IV – Putting it all together

Making a new feature in OpenMM, logging the changes with Git, and pushing them to GitHub

Molecular Sciences Software Institute (MolSSI) is pleased to announce a workshop for MERCURY attendees to learn beginning programming skills. This two-session coding workshop will be held on the afternoon of Saturday, July 22 and morning of Sunday, July 23, 2017 and be open to up to 30 attendants. 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.