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@mattwthompson mattwthompson released this 12 Feb 19:45
· 624 commits to main since this release
v0.3.20
6b9f8d2

0.3.20 Hydrogen mass repartitioning

This release adds hydrogen mass repartitioning (HMR) to the OpenMM and GROMACS exports. To apply HMR, the hydrogen_mass argument to the relevant Interchange.to_x method.

For the complete release notes, please see the release history.

For help installing Interchange, the installation instructions.

Please report bugs, request features, or ask questions through our issue tracker.

Please note that there may still be some changes to the API prior to a stable 1.0.0 release.

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