BioExcel webinar: Enhanced sampling in collective variable space using the Colvars library in GROMACS
The Colvars library (which is now included in the standard GROMACS distribution) is a software package that implements a broad variety of collective variable-based schemes that can be used to accelerate MD simulations. Join us to learn about Colvars and how to use it with GROMACS to enhance MD simulations.
Time: Tue 2024-03-19 15.00 - 16.00
Location: Online
Language: English
Presenters
- Giacomo Fiorin, Division of Intramural Research (DIR), National Institute of Neurological Disorders and Stroke (NINDS), National Institutes of Health (NIH), USA
- Hubert Santuz, Laboratory of Theoretical Biochemistry (LBT), Institute of Physico-Chemical Biology (IBPC), France
- Jérôme Hénin, Laboratory of Theoretical Biochemistry (LBT), Institute of Physico-Chemical Biology (IBPC), France
Webinar details and registration link
For more details about this webinar, including the link for registering, see:
About BioExcel
BioExcel is the leading European Centre of Excellence for Computational Biomolecular Research. The centre was established in 2015 and is led by KTH/PDC. The BioExcel webinar series covers a broad range of topics related to the latest developments for supported software packages; their application to modelling and simulation; best practices for performance tuning and efficient usage on HPC and novel architectures; introductory tutorials for entry level users and much more.