MD simulation of chorismate synthase with the inhibitor PH011669

The uploaded files include the trajectory and GRO (starting coordination files) files of the molecular dynamics (MD) simulation of chorismate synthase from Paracoccidioides brasiliensis  with the inhibitor PH011669. MD files for the apo system are noHOH_apo.gro and traj_noHOH_apo.xtc (all three independent trajectories merged in one file). MD files for the binary system are noHOH_binary.gro and traj_XX_noHOH_binary.xtc (with X indicating the number of the independent trajectory; 1-9). MD files for the ternary system are noHOH_ternary.gro and traj_XX_noHOH_ternary.xtc (with X indicating the number of the independent trajectory; 1-3).