ADL: number of output models consistently restricted to 20

Paul Reginato paullouisreginato at gmail.com
Fri Jul 5 08:58:58 PDT 2013


Hi there,

I am trying to get a docking output with 100 models (num_modes = 100) but
every time I run it I only get 20 outputs. I read the FAQ and I understand
that the number of binding modes may be restricted by the maximum energy
difference between the top score and any other score, but this doesn't seem
to be what's restricting my output.  For one thing, I get 20 outputs every
time, even if I use a different protein and ligand. Also, the energy
difference between my top output my 20th output is usually around 1-1.5,
which is not close to the default value of 3.

Any help in getting more output would be greatly appreciated!

Many thanks
Paul


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