When I made the post about GAMESSQ, I had no idea it was only being distributed for the Mac (together with the Mac binary) - I usually don't make posts on software that is not cross-platform.
However, now Brett Bode has made a general release of GAMESSQ. Here you can find a Windows executable and the source code, the later being the only current option for Linux users.
It is not inconceivable that one or two Linux binaries will be available soon. What flavor if Linux would be most useful to MolModBasic readers?
Prediction of amine pKa values of drug-like molecules using semiempirical QM methods - take 2 - I screwed up some of the calculations describes in this post so I am starting fresh. In an earlier study we showed that pKa values could be computed fairly...
4 days ago