本人初学autodock,请教各位前辈有关Grid的设置及运行问题,我在进行如下操作后(按照AutoDock 4 tutorial):
1.Grid -> macromolecule -> (*.pdbqt)
2.Grid -> Set Map Type -> (*.pdbqt)
3.Grid -> Grid Box
4.File(Grid Options) -> Close saving current
5.Grid -> Output -> Save GPF (hsg2.gpf)
6. Run AutoGrid
提示如下问题:
Running: autogrid4
autogrid4: ERROR: can't find or open receptor PDBQT file "hsg1_rigid.pdbqt".
autogrid4: ERROR: Unsuccessful completion.
尝试了很多次,实在不知道是怎么回事,还请各位前辈不吝赐教。