beta.2
This is the second beta release of the multi-eGO toolkit and parameters
The main changes are the following:
- Fix for the mass of aromatic rings plus some code cleaning by @carlocamilloni in #274
- Moved from epsilon fraction to epsilon_min by @carlocamilloni in #276
- Added different domain epsilon by @frantropy in #280
- Simplified input flags by @carlocamilloni in #298
- Fix for N-terminus proline by @carlocamilloni in #330
- Simplified handling of disulphide bridges by @carlocamilloni in #333
- Feature/compression io by @frantropy in #334
- New CMDATA implementation @frantropy
- New way to handle equivalent atoms @carlocamilloni
- Improved the merging of multiple training data @carlocamilloni
- Better handling of cross interactions (molecules of different species) @brunostega
- Fixed issue with single atom topologies @brunostega
New Contributors
- @gaiaperaja made their first contribution in #304
Full Changelog: beta1...beta2