;This mdp file has been created by the pymdsetup.gromacs_wrapper.grompp.create_mdp() ;Type of MDP: minimization ;Position restrain Define = -DPOSRES ;Run parameters nsteps = 5000 integrator = steep emtol = 1000.0 emstep = 0.01 ;Neighbour searching cutoff-scheme = Verlet ns-type = grid rcoulomb = 1.0 vdwtype = cut-off rvdw = 1.0 nstlist = 10 rlist = 1 ;Eletrostatics coulombtype = PME ;Periodic boundary conditions pbc = xyz ld-seed = 1