Releases: ricalessandri/Martini3-small-molecules
Releases · ricalessandri/Martini3-small-molecules
v1.0.0 [paper version]
Release corresponding to the database published with Adv. Theory. Simul. 2022, 5, 2100391.
The key contents of these repo are:
- Martini 3 models (and associated files) for 90 small molecules
- A tutorial on how to parametrize small molecules within the Martini 3 framework
- The building block reference table to guide bead type choice in Martini 3