&cntrl irest = 1, ntx = 5, ntb = 1, ntt = 0, ntp = 0, ntf = 2, ntc = 2, tol = 1.0D-6, cut = 8.0, dt = 0.002, nstlim = 2000000, ntpr = 50, ntwr = 5000, ntwx = 0, / &ewald dsum_tol = 1.0D-6 /