We are proud to announce the release of ACEMD 3.3. This new version adds key functionalities to Acellera’s MD software. One of them is the integration of PLUMED to bring state-of-the-art free energy calculation capabilities to ACEMD. PLUMED is an open-source library for free energy calculation, implementing several enhanced-sampling methods, such as metadynamics, and an extensive set of collective variables.
Other changes in this release include an update to the latest OpenMM version, an improvement of the PRMTOP file parser, among others. Check the ACEMD documentation page for more details, including our new PLUMED tutorial!