Closed jvalegre closed 5 years ago
The % that the program calculates contains 3 digits, it works for calculating ee% but to calculate weighted G from multiple conformers we need more digits (like 8-9 maybe because the G numbers are quite high). Rob could you change this? Thanks!
done
bobbypaton
commented
5 years ago
The % that the program calculates contains 3 digits, it works for calculating ee% but to calculate weighted G from multiple conformers we need more digits (like 8-9 maybe because the G numbers are quite high). Rob could you change this? Thanks!