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[Feature]: resolution detection #25

Description

@jkalayan

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

Activity

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