NPT simulation of liquid water &cntrl imin = 0, irest = 0, ntx = 1, ntb = 2, cut = 7.0, ntp = 1,taup = 4.0, pres0 = 1.013, tempi = 298.15, temp0 = 298.15, ntt = 3, gamma_ln = 5.0, ig = -1, nstlim = 600000, dt = 0.0005, ntpr = 10, ntwx = 10, ntwr = 10 / &ewald skinnb = 2.0 /