 Typical Production MD NVT
 &cntrl
   ntx=5, irest=1,
   nstlim=1000, 
   ntpr=1000, ntwx=1000,
   ntwr=10000, 
   dt=0.002, cut=9, nsnb=10,
   ntt=1, tautp=10.0,
   temp0=300.0,
   ntb=1,
   ioutfm=1,
 /
