#running equilibration for 100 ps to give the sys time to relax
 &cntrl
  imin=0,
  irest=1,
  ntx=7,
  ntb=2,
  pres0=1.0,
  ntp=1,
  taup=2.0,
  cut=10.0,
  ntr=0,
  ntc=2,
  ntf=2,
  tempi=300.0,
  temp0=300.0,
  ntt=3,
  gamma_ln=1.0,
  nstlim=50000,
  dt=0.002,
  ntpr=100,
  ntwx=100,
  ntwr=1000
 /
