Yuandq

I have encountered the same problem. Following the discussion above, I have basically solved the problem. System: Windows 10, CPU AMD Ryzen 7 4700U, 16GB RAM Compiler: msys2-mingw64 native windows...

Thanks for your quick reply. In the JPCC paper, the authors said "Because possible binding sites of the guest molecule inside the host are in the focus, the biasing root-mean-square...