Feature #3433
Feature #3417: Make modular simulator feature-complete
Decide how to handle multisim with modular simulator
Description
GROMACS 2020 uses the legacy code path for all multisims. This includes replica exchange, ensemble restraints, and AWH. It remains to be decided at which level multisim should happen - does it need to be deeply incorporated in the simulator level (as in the legacy implementation), or could (most of) the functionality live outside of the simulator level and communicate via some type of API?
Related issues
History
#1 Updated by Pascal Merz 8 months ago
- Description updated (diff)
#2 Updated by Eric Irrgang 8 months ago
- Related to Feature #3379: C++ API for simulation input and output added