 Input file for smd 
&cntrl
  imin = 0, irest = 0, igb = 1, dielc = 1.0,
  ntx  = 1, ntb   = 0, ntt = 3, gamma_ln = 1.0, ntp = 0,
  temp0 = 300.0, tautp = 2.0,
  tol = 0.00001, ntc = 2, ntf = 2,
  cut = 32.0, ibelly = 0, dt = 0.001,
  ntpr = 100,
  ntwr = 100,
  ntwx = 100,
  nstlim = 1000000,
  nscm = 100,
  ntr = 0, ipol = 0
&end

ncsu_smd

  output_file = 'smd.XXX.txt'
  output_freq = 100
  
  variable
    type = TORSION
    i=( 5, 7, 9, 15 )
    path=(X,YYY)
    harm=(1.0)
  end variable

  variable
    type = TORSION
    i=( 7, 9, 15, 17 )
    path=(X,ZZZ)
    harm=(1.0)
  end variable

end ncsu_smd
