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Auto-FOX 0.8.12
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@BvB93 BvB93 released this 22 Feb 14:07
· 312 commits to master since this release
0.8.12
314b7ea
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Learn about vigilant mode.
  • Added a recipe for calculating the similarity between 2 MD trajectories.
  • Added improved support for custom atom types.
  • Made the ligand optional in the FOX.recipes.generate_psf() recipe.
  • Fixed an issue where non-absolute distances were used when calculating the pressure.
  • Fixed an issue where non-charge parameters were updated incorrectly.
  • Fixed an issue where parameter guessing could fail if no .prm file was provided.
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