Highlights

GROMACS 2026 was released on INSERT DATE HERE. Patch releases may have been made since then, please use the updated versions! Here are some highlights of what you can expect, along with more detail in the links below!

As always, we’ve got several useful performance improvements, with or without GPUs, all enabled and automated by default. In addition, several new features are available for running simulations. We are extremely interested in your feedback on how well the new release works on your simulations and hardware. The new features are:

• Two protein force fields from AMBER, ff14SB and ff19SB, have been ported to GROMACS as AMBER14SB and AMBER19SB. The ports also include the new OPC and OPC3 water models as well as several others.

• Expanded support for running simulations with Neural Network Potential models, now including link atom treatment for NNP/MM, pairlist input, and electrostatic embedding models.

• Experimental support for H5MD as a trajectory output format for mdrun.