Hi Sebastian,
Long time no see, I haven't been at the autodock forums but I assume we meet there before. As mentioned before your zip file seems to be corrupt thus, I cannot check what went wrong. Did you follow TUTORIAL B4: Simulating a pharmaceutical compound using antechamber and the Generalized Amber Force Field.?
If so, your mistake maybe that you use a ligand file with different coordinates than those of the original one, that is, the one bound as determined by X-ray diffraction.
But give us more info, please.
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Received on Tue Apr 09 2013 - 13:30:02 PDT
