[Dock-fans] problem about the ranked result of DOCK6.2

[CAI Qixu]

Dear friends,
I have a serious problem. I screen a subset of small molecules in ZINC
(about 170000 molecules), and I set the parameter "rank_ligands" to be "yes"
and "max_ranked_ligands" to be "500"
(1) Does it mean that in the process of docking, there is no output (because
I find the ligand_outfile_prefix_ranked.mol2 is 0kb, and nothing is in the
file after I have calculate 1000 molecules) ? And mol2 file and after all
calculation finished, the final ranked mol2 file will generate, which have
500 ligands?
(2) When the DOCK is docking, I split the mol2 file of the ZINC subset to
two mol2 files, which contain 100000 molecules and 70000 molecules. And I
overwrite the mol2(170000) with the mol2 file (100000) when the mol2(170000)
is docking! I want to know whether  the docking process will stop at 170000
molecules or 100000 molecules?
I need your help! Thank you very much!

Qixu Cai
Email: caiqixu at gmail.com
Xiamen University, Fujian, China
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