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Bala subramanian bala.biophysics at gmail.com
Fri Mar 6 06:29:02 PST 2009


Dear Friends,

Running the flexible ligand dock run stops with the following error. Could
someone please write me what is going wrong.

--------------------------------------
DOCK v6.0

Released June 2006
Copyright UCSF
--------------------------------------


Molecule Library Parameters
------------------------------------------------------------------------------------------
ligand_atom_file                                             143d_lig.mol2
ligand_outfile_prefix                                        flex
limit_max_ligands                                            no
read_mol_solvation                                           no
write_orientations                                           no
WARNING:  No parameter value found for "write_conformations".  Default value
of "no" used.
skip_molecule                                                no
calculate_rmsd                                               no
rank_ligands                                                 no
WARNING:  No parameter value found for "num_scored_conformers_written".
Default value of "1" used.
ERROR:  Parameter must be an integer greater than zero.  Program will
terminate.
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