(Metropolis Monte Carlo) a program for the simulation of molecular assemblies in the canonical, grand-canonical and isothermal-isobaric ensembles employing several convergence acceleration techniques (e.g., force-biased displacement, extension-biased and local torsion changes, preferential selection of solvent to be moved, cavity-biased insertion, virial-biased volume change).
InstallationUse the following command to install this title with the CLI client:
$ sbgrid-cli install mmc
Citation NoteThere is no single literature reference for MMC. When referring to MMC in a paper, use the URL http://inka.mssm.edu/~mezei/mmc/