&cntrl comp = 44.6, cut = 8, dielc = 1, drms = 0.0010, dt = 0.001, dx0 = 0.01, dxm = 0.5, ibelly = 0, ig = 71277, igb = 1, imin = 0, irest = 0, maxcyc = 1, nrespa = 1, nscm = 1000, nstlim = 10, ntave = 5000, ntb = 0, ntc = 1, ntf = 1, ntmin = 2, ntp = 0, ntpr = 250, ntr = 0, ntrx = 1, ntt = 4, ntwe = 0, ntwr = 500, ntwx = 500, ntx = 1, pres0 = 1.0, scee = 1.2, scnb = 2.0, taup = 5.0, temp0 = 300.0, tempi = 0.0, tol = 0.000001, vlimit = 20.0, vrand = 0, &end &ewald dsum_tol = 0.000001, order = 4, skinnb = 2.0, vdwmeth = 1, &end