Dear members,

I  want calculate the both CDOCKER_ENERGY and CDOCKER_INTERACTION_ENERGY  for set of co-crystallized ligands. I  tried to get these values by docking ligands with CDOCKER. However,  co-crystallized conformations of ligands were not reproduced. Is there  any way to calculate these values for co-crystallized ligands (i.e. bioactve conformation)?

Regards

Ranajit