Posts

Showing posts from February, 2016

Missing values for "intercor" in bestranking.lst output when runing GOLD in parallel with PVM

Image
There are some bugs when running GOLD 5.4 in parallel with PVM (parallel virtual machine). In the "intcor", there is not value reported in the final docking result file "bestranking.lst". Run-1: In parallel with PVM using 8 cpus (parallel_gold_li*) ============================== ====================== #     Fitness  S(hb_ext) S(vdw_ext)  S(hb_int)    S(int)      intcor      time                               File name                Ligand name        46.25       9.00       27.86              0.00      -1.06       ----         15.870    './ligands_ m1_2.mol2'    'ligand_001' ============================== ====================== If running...