original_pdb  	  apo-protein_pdb4amber.pdb
ion_ids       	  3375
ion_mol2files	  FE.mol2
cutoff      	  2.8
force_field   	  ff19SB
gaff         	  2
group_name  	  protein
large_opt         2
lgmodel_chg  	  1
lgmodel_spin  	  5
smmodel_chg   	  1
smmodel_spin  	  5
scale_factor      1.008
software_version  g16
water_model	  OPC
naa_mol2files	  WAT.mol2
frcmod_files      frcmod.opc
chgfix_resids     212 

