gromacs
Versatile package for molecular dynamics calculations
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
Formula code on GitHub
