300K constant temp MD
 &cntrl
  imin=0, ntb=1,
  cut=8.0, ntc=2, ntf=2,
  tempi=300.0, temp0=300.0,
  ntt=3, gamma_ln=1.0,
  nstlim=1000, dt=0.002,
  ntpr=1, ntwx=1,
 /
