Heat: 0K to 300K ramp over 100ps (NVT)
 &cntrl
  imin=0, irest=0, ntx=1,
  nstlim=50000, dt=0.002,
  ntb=1, ntc=2, ntf=2, cut=10.0,
  ntt=3, temp0=300.0, gamma_ln=5.0,
  ntpr=1000, ntwx=1000,
  nmropt=1, ioutfm=1, iwrap=1,
  ntr=1, restraint_wt=5.0, restraintmask=':1-383 & !@H=',
 /
 &wt type='TEMP0', istep1=0, istep2=50000, value1=0.0, value2=300.0 /
 &wt type='END' /


