Dear Haddock users,
I have recently submitted a metal-protein docking calculation; however, it resulted in an error. I am following the steps a former post-doc has done to achieve this dimerization model using the same Fe2+ PDB file. First, he docked Fe2+ to a monomer with unambiguous distance restraints. He was able to move forward and dock another monomer to produce the dimer.
My attempts have been failing and I’m not sure why. Below is the link of the output file error:
" ***** WARNING ***** FROM ORINTC. ROTATION MATRIX IS NOT UNITARY.
DETERMINANT= -1.00000000" – this was found at the bottom of the file.
How may I correct this error?
Thanks for the help!