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Code of the Month Vol. 6 – GROMACS
Code of the Month Vol. 6 – GROMACS
GROMACS is a versatile package for performing classical molecular dynamics simulations, i.e. integrate Newton’s equations of motion for systems with hundreds to millions of particles. One of it’s main features it that it runs efficiently on all major CPU and GPU architectures. Another feature is it’s wide support and easy use of many algorithms. The […]