I am trying to performe a docking simmulation between two proteins, A and B. I know that two atoms, one from each protein, are about 3 A away. I am trying to run a docking simmulation with this constrain but knone of the output models fulfill this restrain. Could you please help me with this? Yo can find below configuration and constrains file. I have already tryed with many diffrent constrain functions
Thanks in advanced.
-dock_pert 1 1
AtomPair OG1 382 NE2 459 SCALARWEIGHTEDFUNC 100000 HARMONIC 2.6 0.2