equilibration
 &cntrl
  imin=0,irest=1,ntx=7,
  nstlim=1500000,dt=0.002,
  ntc=2, ntf=2, PRES0=1.0,
  cut=12.0, ntb=2, ntp=1, taup=2.0,
  ntpr=5000, ntwx=5000,ntwr=5000,
  ntt=3, gamma_ln=1.0,
  tempi=310.0,
  temp0=310.0,
  ntr=1, restraintmask=':1-343',
  restraint_wt=5.0,
 /
