Objectives: The course will make the attendants familiar with simulation technologies used in Life Sciences and their specific adaptation to HPC environment
Detailed outline: Introduction to biomolecular simulation; Coarse-grained and atomistic simulation strategies; Automated setup for simulation
HPC specifics: Large scale parallelization, use of GPU’s; Storage and strategies for large scale trajectory analysis
Prerequisites: Basic knowledge of structural bioinformatics Basic knowledge of parallelization strategies. Material will be provided during the course, students are welcome to provide their own use cases.
Please download and carefully read the following instructions regarding the logistics participants enrolling PATC at BSC are expected to follow.
Learning Outcomes: Setup, execute, and analyze standard simulations in HPC environment
More information in BSC website.