GROMACS¶

GROMACS constant pH GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. This is preliminary version of the GROMACS constant pH code. The modified force fields needed for constnat pH.

homepage: https://gitlab.com/gromacs-constantph

version	versionsuffix	toolchain
`2021.0`	`-20250409-constant-pH`	`foss/2023a`
`2021.3`	`-CUDA-11.3.1-PLUMED-2.7.2`	`foss/2021a`
`2021.3`	`-CUDA-11.3.1`	`foss/2021a`
`2021.3`	`-PLUMED-2.7.2`	`foss/2021a`
`2021.3`		`foss/2021a`
`2021.5`	`-CUDA-11.4.1-PLUMED-2.8.0`	`foss/2021b`
`2021.5`	`-CUDA-11.4.1`	`foss/2021b`
`2021.5`	`-PLUMED-2.8.0`	`foss/2021b`
`2021.5`		`foss/2021b`
`2023.1`	`-CUDA-11.7.0`	`foss/2022a`
`2023.1`		`foss/2022a`
`2023.3`	`-CUDA-11.7.0`	`foss/2022a`
`2023.3`		`foss/2022a`
`2023.3`	`-CUDA-12.1.1-PLUMED-2.9.0`	`foss/2023a`
`2023.3`	`-PLUMED-2.9.0`	`foss/2023a`
`2023.3`		`foss/2023a`
`2023.4`		`foss/2023a`
`2024.1`		`foss/2023b`
`2024.3`	`-PLUMED-2.9.2`	`foss/2023b`
`2024.3`		`foss/2023b`
`2024.4`	`-CUDA-12.4.0-PLUMED-2.9.2`	`foss/2023b`
`2024.4`	`-CUDA-12.4.0`	`foss/2023b`
`2024.4`	`-PLUMED-2.9.2`	`foss/2023b`
`2024.4`		`foss/2023b`
`2025.2`		`foss/2025a`
`2025.2`		`foss/2025b`

(quick links: (all) - 0 - a - b - c - d - e - f - g - h - i - j - k - l - m - n - o - p - q - r - s - t - u - v - w - x - y - z)