| 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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