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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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