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 
/