It is totally awesome and grateful to share these useful algorithms in MolAICal. I carried out the molecular generation (-denovo grow) using your example in the 000-quickStart, but these results, generated ligands are not docked to the target protein. I set up vina in the same folder and wrote target information such as centerPoints, boxLengthXYZ, and receptorPDB in the input file, InputParFile.dat. What's the problem?
It is totally awesome and grateful to share these useful algorithms in MolAICal. I carried out the molecular generation (-denovo grow) using your example in the 000-quickStart, but these results, generated ligands are not docked to the target protein. I set up vina in the same folder and wrote target information such as centerPoints, boxLengthXYZ, and receptorPDB in the input file, InputParFile.dat. What's the problem?