Hi all, I want to dock Uranium with a peptide, but there is no parameter for uranium. any idea to parametrize U?

For metal ions, an example entry in the parameter file is: atom_par Tc 3.00 0.048 12.000 -0.00110 0.0 0.0 0 -1 -1 4 atom_par U XXX XXXX XXXX XXXXX 0.0 0.0 0 -1...

29 March 2024 6,604 1 View