
Grid free energy (GFE) maps of the distribution of K+ (orange) and Mg2+ (cyan) ions around the Twister ribozyme at various stages along the umbrella sampling reaction coordinate in 20 mM MgCl2. Twister is shown as orange cartoon with T1 bases in red and T2 bases in green cartoon. GFE level is −2.0 kcal/mol.










