-docking # the docking option group -partners A_B # set rigid body docking partners -dock_pert 3 8 # set coarse perturbation parameters (degrees and angstroms) -dock_mcm_trans_magnitude 0.1 # refinement translational perturbation -dock_mcm_rot_magnitude 5.0 # refinement rotational perturbation -s ./input_files/complex_8_repacked_renumber.pdb # input model -run:max_retry_job 10 # if the mover fails, retry 50 times -use_input_sc # add the side chains from the input pdb to the rotamer library -ex1 # increase rotamer bins to include mean +- 1 standard deviation -ex2 # increase rotamer bins to include mean +- 2 standard deviations -out # out option group -file # out:file option group -scorefile docking.fasc # the name of the model score file -score:weights ref2015.wts # Set ref2015 as default score function -out:suffix _docked -nstruct 500 -ignore_zero_occupancy false -in:file:extra_res_fa ./input_files/SPC.params -parser:protocol docking_full.xml -out:overwrite -constraints:cst_fa_file myconstraint.cst -constraints:cst_fa_weight 10