Is MacroModel hard to use?
We have tried to make MacroModel as easy as possible to use; especially for standard operations like constructing a model, setting a force field and performing energy calculations. Even operations like conformational searching can usually be set up using the default selections from the graphical user interface. On the other hand any sensible modeling will require some understanding of the basic theory behind molecular mechanics and some ability to install and run the program. We do not attempt to provide tools or literature to address these issues. Furthermore some sophisticated and/or leading edge technologies are not available through the graphical user interface and will require some effort to master. It may seem difficult to get started but hundreds of people have already mastered MacroModel, many of those actually end up enjoying using it. Q1.
