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towhee - A Monte Carlo molecular simulation code
- Description:
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.
This package contains binaries for serial operation and the utilities.
N.B. Due to some general names the utilities have a towhee- prefix, e.g.
analyse_movie is now towhee-analyse_movie.
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