Feature Request
Problem / Motivation
System resolution can be detected from the top/traj files, but is not included in the auto-extraction.
Proposed Solutions
- Use the existing list of martini atom/molecule names to detect coarse-grained resolution
- Detect CG water beads and check the water box for this
- Set atomic resolution if hydrogen atoms are detected (mass ~1 g/mol)
- Investigate united-atom/mesoscale resolutions in future when example top/traj files are available for these
Feature Request
Problem / Motivation
System resolution can be detected from the top/traj files, but is not included in the auto-extraction.
Proposed Solutions