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.