gromacs-devel Subpackage of gromacs

GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package contains header files and development libraries for the GROMACS molecular dynamics software. You need it if you want to write your own analysis programs.

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