Use the parameter flow variables to control command-line options not exposed in the configuration panel. This is illustrated for the protein preparation, Shape Screening, MacroModel minimization, Molecule reader, and other nodes. [Requires (optionally): MacroModel, Phase, LigPrep, Prime] [Keywords: Parameter flow variables, Quick form] See also the following workflow examples: - Quantum Mechanical properties - ESP charges - Jaguar pKa
This is a companion discussion topic for the original entry at https://kni.me/w/1P_mhtYzFDtMsQVk