aiida-gromacs

A plugin for using GROMACS with AiiDA for molecular dymanics simulations.

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install aiida-gromacs

Releases

Version Released Bullseye
Python 3.9
Bookworm
Python 3.11
Files
2.1.0 2025-06-05
2.0.10 2025-02-10    
2.0.9 2025-01-13    
2.0.8 2024-05-23    
2.0.7 2024-01-23    
2.0.6 2024-01-22    
2.0.5 2024-01-22    
2.0.4 2024-01-19    
2.0.3 2023-11-22    
2.0.2 2023-11-21    
2.0.1 2023-10-06    
2.0.0 2023-09-18    
0.0.1 2022-01-14  

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Page last updated 2025-07-17 22:53:29 UTC