SimuRank

the scientific simulation, molecular modeling, and data analysis software directory

GROMACS

GROMACS is one of the most popular software packages used to perform molecular dynamics simulations. It is designed for biochemical molecules like proteins, lipids and nucleic acids, but due to its increased speed of calculation it is frequently used to model non-biological systems like polymers. It supports parallel job runs and also CUDA-based GPU acceleration.
Software Licence: Free
OS: Linux
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