NPT simulation of liquid water
 &cntrl
 ipimd = 2
 irest = 0, ntx = 1
 ntb = 2, cut = 7.0, ntp = 1
 pres0 = 1.013, taup=4.0,
 tempi = 298.15, temp0 = 298.15
 ntt = 4, nchain = 4                             
 nscm = 1000                               
 nstlim = 2000000, dt = 0.0001
 ntpr = 1000, ntwx = 1000, ntwr = 1000  
  /
 &ewald                                 
 skinnb = 2.0                            
 /
