This pull request adds a test case to the repository for single-step testing of the latest Martini3 cholesterol model (link). The new model adopts a single-frame virtual site approach, using only a single triangle of constraints. This design ensures compatibility with the CCMA algorithm implemented in OpenMM for constraint handling.
This pull request adds a test case to the repository for single-step testing of the latest Martini3 cholesterol model (link). The new model adopts a single-frame virtual site approach, using only a single triangle of constraints. This design ensures compatibility with the CCMA algorithm implemented in OpenMM for constraint handling.