Knowledge Base

Article ID: 304 - Last Modified: May 9, 2011

How can I disable ring sampling during the docking stages of IFD?

You will have to add the following keyword-value pair to the two STAGE GLIDE_DOCKING blocks in the IFD input file:

MMIM_GLIDE_CONFGEN_RINGCONF FALSE

Then start the job from the command line:

$SCHRODINGER/ifd jobname.inp

Keywords: Induced fit, ring sampling

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