What is "macromodel"

MacroModel is a computer program for molecular modelling of organic compounds and biopolymers. It features various force fields coupled with energy minimization algorithms for the prediction of geometry and relative conformational energies of molecules. MacroModel is maintained by Schrödinger, Inc.

It carries out simulations in the framework of classical mechanics - the so-called " molecular mechanics". MacroModel also has the ability to perform molecular dynamics simulations to model systems at finite temperatures using stochastic dynamics and mixed Monte Carlo algorithms. MacroModel supports Windows, Linux, Mac, SGI/ IRIX and IBM/ AIX.