Equilibration after density MD, restraining
protein and ligand
 &cntrl
  imin=0, irest=1, ntx=5,
  nstlim=1, dt=0.002,
  cut=10, ntb=2, ntp=1, taup=2.0,
  ntc=2, ntf=2,
  ntpr=1000, ntwx=1000,
  ntt=3, gamma_ln=2.0,
  temp0=300.0,
  ntr=1,
 /
 Keep protein and ligand restrained
 32.0
RES 79 341
END
END

