Since many of the groups in CTBP rely heavily the development and application of novel computing tools, we have established a Computing Working Group. This group involves CTBP graduate students, postdocs and faculty, as well as collaborators. The idea is that pooling our collective knowledge can lower technical barriers, which will facilitate more exciting scientific progress. Since many groups are working with openMM, we are beginning with discussions that focus on this particular tool. However, we plan to expand the scope of this working group, as needed.
If you are interested in participating in this working group, please sign up for the listserve HERE
Upcoming Meeting
Our next meeting will be May 5, at 9am EST. To ensure participation from members at all sites, we will be hosting the meeting via Zoom. At the next meeting, Vinicius Contessoto and Antonio Junior (Onuchic Group) will be discussing how they have been porting genome models to openMM. Carlos Bueno (Wolynes Group) will be discussing how to share openMM tools via conda. Paul Whitford will be presenting a discussion on High Performance Computing techniques and best practices.