Minimizing Bad Contacts
 &cntrl
  imin = 1, ntx = 1, irest = 0,
  maxcyc = 5000, ncyc = 1000,
  cut = 8.0, ntb = 1, ntp = 0,
  ntc = 1, ntf = 1,
  ntpr = 50, ntwe = 0, ntwx = 500, ntwr = 500, ioutfm = 1,
  ntr = 1,
  restraintmask = '! : WAT@CA,C,O,N', restraint_wt = 10.0,
  /
