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Add Voronota SASA energy term

Open mlund opened this issue 1 year ago • 0 comments

Now that we have internal access to Voronota-LT, we can use it to calculate SASA to capture hydrophobic and ion-specific interactions.

  • [ ] Add energy term in energy.h
  • [ ] Add test. This could be based on existing tests where other SASA energy is used.
  • [ ] Investigate if existing SASA energy code can be reused.

mlund avatar Oct 21 '24 08:10 mlund