trainyyi |
2009-11-28 13:23 |
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。 |
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