gromacs

Install command:
brew install gromacs

Versatile package for molecular dynamics calculations

https://www.gromacs.org/

License: LGPL-2.1-or-later

/api/formula-linux/gromacs.json (JSON API)

Linux formula code on GitHub

Bottle (binary package) installation support provided for Linux platforms:

Intel big sur
catalina
mojave
64-bit linux
ARM64 big sur

Current versions:

stable 2021.1

Depends on:

fftw 3.3.9 C routines to compute the Discrete Fourier Transform
gcc 10.2.0 GNU compiler collection
gsl 2.6 Numerical library for C and C++
openblas 0.3.15 Optimized BLAS library

Depends on when building from source:

cmake 3.20.2 Cross-platform make
GMXRC and other scripts installed to:
    $(brew --prefix)/share/gromacs

Analytics:

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gromacs 24
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gromacs 101
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gromacs 101
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