300K constant temp MD
 &cntrl
  imin=0, ntb=0,
  cut=10.0, ntc=2, ntf=2,
  tempi=0, temp0=300.0,
  ntt=0, gamma_ln=0,
  nstlim=100, dt=0.002,
  ntpr=1, ntwx=1, ntr=1,
  restraint_wt=100, restraintmask='@7-20,26-38',
  /
    LISTOUT=POUT
    DISANG=TOR180.bb
  /
    
