-
Notifications
You must be signed in to change notification settings - Fork 8
Open
Labels
Description
README.md and examples/ are not enough. We should add complete tutorials and proper documentation, as suggested by @ajasja in #9. This would be probably tackled when I start writing the manuscript for OMMProtocol, around February.
In the meantime, we can chat here and provide different systems and sources. For example, some tutorials could include:
OMMProtocol
- Absolute beginner: prepared PDB file compatible with standard forcefield.
- Intermediate: prepare dirty PDB with PDBFixer.
- Advanced: use
ambertoolsto prepare Prmtop/Inpcrd and then come back toommprotocol.
OMMAnalyze
- Just to showcase how to obtain quick plots using the output files from OMMProtocol.
Reactions are currently unavailable