History/Change Log¶
### v1.1.0 (2018/04/06)
This version introduces a major internal code rehaul, leaving major features of gRINN unaffected. There are additional new features as well as major/minor bug fixes:
New Features:
- A new calculation setting for non-bonded interaction cutoff for NAMD simulation input is introduced. In the previous version, filtering cutoff distance parameter specified both the filtering cutoff distance itself and the non-bonded interaction energy cutoff for NAMD simulation input.
- gRINN now supports Charmm simulation input as well.
Major/minor bug fixes:
- A bug which caused faulty reading of more than one parameter file for NAMD simulation input is fixed.
- A minor bug which caused incorrect protein structure display upon start of View Results interface in Mac OS version is fixed.
### v1.0.1 (2017/12/27)
Initial release of gRINN.