EON 2.3.2

Nov 2019

  • This version of EON has been built using OEToolkits 2019.Oct. The previous version was built using OEToolkits 2019.Apr.

Minor bug fixes

  • EON now fails if -charges is set to existing and -fixpka_dbase or -fixpka_query is true. This avoids the problem with fixpka incorrectly modifying the molecule but not the charges.