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some_hints [2016/04/25 09:58]
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some_hints [2016/04/25 09:59] (current)
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 Problem is that only ADT will write this type of file correctly for you as it changes the atom numbering relative to the original .pdb file.  Problem is that only ADT will write this type of file correctly for you as it changes the atom numbering relative to the original .pdb file. 
  
-Beware of the torsional ​definition if you use other method(s)!+Beware of the dihedral ​definition(s) if you use other method(s)!
  
 To proceed in ADT 4.2: **Ligand > Torsion Tree > Choose torsions** ... > **Save .pdbqt** ​ To proceed in ADT 4.2: **Ligand > Torsion Tree > Choose torsions** ... > **Save .pdbqt** ​
some_hints.txt ยท Last modified: 2016/04/25 09:59 by root