Releases: essex-lab/grand
Releases · essex-lab/grand
grand 1.1.0
- Includes GCNCMC moves, where NCMC can be used to improve the acceptance rates of water insertions and deletions
- Tidying and improvement to auxiliary functions
grand 1.0.1
- Made much less memory intensive
- Fixed some minor bugs in auxiliary functions
grand 1.0.0
- Initial release
- Python module for executing GCMC moves on water molecules in OpenMM
- Tested up to v7.3.1 of OpenMM