complex: initial min of solvent, ions, and part of a ligand &cntrl imin = 1, maxcyc = 500, ncyc = 250, ntb = 0, ntr = 1, cut = 16, igb = 1 / Hold the protein fixed 100.0 RES 1 224 END Hold part of a ligand fixed 100.0 RES 330 332 END END