gromacs

Versatile package for molecular dynamics calculations

http://www.gromacs.org/

Current versions:

stable 2018.1
bottle 🍾 high_sierra, sierra, el_capitan

Options:

--with-double Enables double precision
--with-mpi Enable parallel support
--with-x11 Build with x11 support

Depends on:

fftw 3.3.7 C routines to compute the Discrete Fourier Transform
gsl 2.4 Numerical library for C and C++

Depends on when building from source:

cmake 3.11.2 Cross-platform make

Requires: :x11

JSON API for gromacs

Formula code on GitHub

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