
&cntrl

  ntx    = 5,       irest  = 1,     ntrx   = 1,      ntxo   = 1,
  ntpr   = 5,     ntwx   = 5000,     ntwv   = 0,      ntwe   = 50,
  ntwr = -5000,

  ntf    = 1,       ntb    = 1,   
  cut    = 8.0,     nsnb   = 5,

  ibelly = 0,       ntr    = 0,  nmropt = 0,

  imin   = 0,              
  nstlim = 200000,
  nscm   = 1000,
  t      = 0.0,     dt     = 0.002,

  temp0  = 300.0,   tempi  = 300.0,   
  ig     = 71277,   
  ntt    = 1,      
  tautp  = 0.2,     
  vlimit = 15.0,
  restraintmask= ':1-2495'
  restraint_wt =0,

  ntp    = 0,       pres0  = 1.0,     comp   = 44.6,
  taup   = 0.2,     

  ntc    = 2,       tol    = 0.00001,
  lastrst = 8000000,

&end
&wt
type='TEMP0', istep1=0.0, istep2=25000, value1=0.0, value2=75.0,
&end
&wt
type='TEMP0', istep1=25001, istep2=50000, value1=75.0, value2=150.0,
&end
&wt
type='TEMP0', istep1=50001, istep2=75000, value1=150.0, value2=225.0,
&end
&wt
type='TEMP0', istep1=75001, istep2=100000, value1=225.0, value2=300.0,
&end
&wt type='END' &end
END
END


