GROMACS 2025.2 release notes¶
This version was released on TODO, 2025. These release notes document the changes that have taken place in GROMACS since the previous 2025.1 version, to fix known issues. It also incorporates all fixes made in version 2024.5 and earlier, which you can find described in the Release notes.
Fixes where mdrun could behave incorrectly¶
Fix assertion failure with CUDA and HIP builds with empty domains¶
mdrun could exit with an assertion failure when a domain contained zero atoms.
Fixes for gmx tools¶
Fix parsing of pdb files with multiple cyclic and acyclic chains¶
pdb2gmx computed incorrect coordinate distances when checking for cyclicity of the second and later chains in the pdb input file.
Fix out-of-boundary read in gmx sorient¶
The outermost (maximum radius) bin in the histograms created for the -o and -no output files from this tool added a value which was read from unallocated memory. Only values in this bin were affected.