Molecular Dynamics Core Package
v2.5.5 September 2025
General Notice
This package is built using
openeye-orionplatform >=5.1.1, <7
,openeye-snowball >=0.26.0
,openeye-toolkits >=2023.2.3
,openff-toolkit >=0.14.4, <0.15
, andparmed ==3.4.4
.
Updates
Legacy cubes and API points have been removed to upgrade old data formats.
Temporary resources are now deleted immediately after use.
Bug Fixes
A bug has been fixed that could cause Gromacs to crash when multiple water residue names were present.