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计算MC使用什么软件

作者 paigu1994
来源: 小木虫 350 7 举报帖子
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我想问一个小白问题。计算MD是使用lammps或者gmx. 计算MC究竟用什么呀?感觉MS太低端了,也很容易上手,我想学一个新的。我看论坛几乎也都是在讨论MS,还有一个说music。我想问问大神,能帮我解答一下吗?

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  • tcc1022

    用MATLAB可以吧,基于Matlab语言的Monte Carlo模拟

  • y1ding

    Towhee
    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.
    It is the hope of the developers that Towhee serves as a useful tool for the molecular simulation community and allows science to move forward more quickly by eliminating the need for individual research groups to rewrite routines that already exist and instead allows them to focus on algorithm advancement, force field development, and application to interesting systems,

  • hyzlegend

    lammps有gcmc package,在安装的时候选择

  • 紫霞咸鱼

    楼主最后用的什么软件,我是要算GCMC,小白一枚,一脸懵

  • zxmTed

    新一点的就是RASPA(简单一点),老一点的就是music(难一点)

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