The seventh “Code of the Month” session will be back on March 13th with a presentation of GROMACS by BioExcel.


GROMACS is a versatile package for performing classical molecular dynamics simulations, i.e. integrating Newton’s equations of motion for systems with hundreds to millions of particles. One of its main features is that it runs efficiently on all major CPU and GPU architectures. Another feature is its wide support and easy use of many algorithms. The code is LGPL and is used in the fields of biomolecular simulation, chemistry and physics. It is widely used in both academia and industry and it is one of the most used HPC codes world wide. Development is distributed, and GROMACS has co-design projects with the three major hardware vendors.


Register to attend here.