MacroModel Reference Manual - ISP

Chapter 4: Operation Codesarg2Type of calculation being performed0 Minimization (MINI) calculations are performed.1 Conformational search calculations are performed.arg3Structural output0 Only the resulting complex structures are recorded.1 Only the resulting ligand structures extracted from the resulting complex structureare recorded.2 For Interaction Mode calculations this is the same as arg3 = 0.For Energy Difference calculations, structures are recorded in the following order:Processed Protein structure (no ligand).For each ligand:The processed ligand structure (isolated, no protein).The processed complex structure.Forarg3=2theMBAE project properties are recorded with the complex structureonly.Arg3 = 2 is not supported for distributed calculations.arg4 DEBG 510 (Do not enforce properties dependencies)0 Turns on DEBG 510 (default).1 Turns off DEBG 510.140MacroModel 9.7 Reference Manual