
minimizacija cijele kutije s fiksnim proteinom 
 &cntrl
  imin   = 1,
  maxcyc = 5000,
  ncyc   = 2500,
  ntb    = 1,
  ntr    = 1,
  ntc    = 2,
  ntpr = 50, 
  ntwx = 50, 
  ntwr = 50,
  cut    = 10.0
 /
Hold the protein fixed
50.0
RES 1 3
END
END
