&cntrl

  nmropt = 1,        pencut = -0.001,
  ntx    = 5,        irest  = 1,         ntxo   = 1,    
  ntpr   = 50,       ntwr   = 50,        ntwx   = 50,    

  ntb    = 0,        cut    = 20.0,
  ntf    = 2,        fcap   = 1.5,
  scee   =1.2, 

  imin   = 0, 
  nstlim = 40000,
  nscm   = 0,
  dt     = 0.0005,

  temp0  = 300.0,    tempi  = 300.0,
  ig     = 71277,
  ntt    = 3,      gamma_ln = 1.0,
  tautp  = 0.5,

  ntc    = 2,        tol    = 0.00005, 
  
  ifqt   = 1,
  nqt    = 6,
  idc    = 0,

  idopmf = 1,
  npert  = 2,
  nequil = 10000
  nsampl = 20000,
 /
 1 2 3 4 5 6
 &wt
  type='DUMPFREQ', istep1=1 /
 &wt
  type='END' /
 DISANG=dist.RST
 DUMPAVE=dist.AVE
 LISTIN=POUT
 LISTOUT=POUT
 Cl-
 1.230,2.449,3.603 
 6
blank
 Cl1
 3.475,1.315,-1.494
 5
blank
END
END