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[http://towhee.sourceforge.net/ MCCCS Towhee] is a [[Monte Carlo]] molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based [[force fields]] and the [[Gibbs ensemble]] with particular attention paid to algorithms addressing molecule conformation sampling. The code has subsequently been extended to several ensembles, many different force fields, and solid (or at least porous) phases | [http://towhee.sourceforge.net/ MCCCS Towhee] is a [[Monte Carlo]] molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based [[force fields]] and the [[Gibbs ensemble]] with particular attention paid to algorithms addressing molecule conformation sampling. The code has subsequently been extended to several ensembles, many different force fields, and solid (or at least porous) phases. | ||
[[Category: Materials modelling and computer simulation codes]] | [[Category: Materials modelling and computer simulation codes]] | ||