Initial minimisation 
 &cntrl
  imin   = 1,
  maxcyc = 1000,
  ncyc   = 500,
  ntb    = 0,
  igb    = 7,
  rbornstat = 1,
  gbsa = 1,
  intdiel = 4.0,
  cut    = 12,
	ntr = 1,
	restraint_wt = 1.0,
  restraintmask = ':* & !@H='
 /
