SZYBKI 1.10.1

May 2019

• This version of SZYBKI has been built using OEToolkits 2019.Apr. The previous version was built using OEToolkits 2018.Oct.

Major bug fixes

• freeform -calc solv has been fixed to properly calculate solvation energy when used with -solvcharges input.

Minor bug fixes

• Occasional overflow of table contents in the freeform -calc conf generated report file has been eliminated.

• Unreasonably high energy conformers information are clipped from the energy plots in the report generated from freeform -calc conf.

• SZYBKI entropy calculation with -entropy AN no longer produces a crash.