Changelog

2019.1.0 - May 02 2019

  • Added support for parameterising proteins and ligands.

  • Added support for solvating molecular systems.

  • Molecular dynamics drivers updated to support SOMD and GROMACS.

  • Support free energy perturbation simulations with SOMD and GROMACS.

  • Added Azure Pipeline to automatically build, test, document, and deploy BioSimSpace.

  • Created automatic Conda package pipeline.

2018.1.1 - May 02 2018

2018.1.0 - May 01 2018

  • Initial public release of BioSimSpace.