heat ras-raf
 &cntrl
  imin=0,irest=1,ntx=5,
  nstlim=25000,dt=0.002,
  ntc=2,ntf=2,
  cut=8.0, ntb=2, ntp=1, taup=1.0,
  ntpr=500, ntwx=500,
  ntt=3, gamma_ln=2.0, restraintmask= '1-21', 
  temp0=310.0,
  restraint_wt=2.0,
 /

