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[求助]
計(jì)算MC使用什么軟件 已有2人參與
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我想問一個(gè)小白問題。計(jì)算MD是使用lammps或者gmx. 計(jì)算MC究竟用什么呀?感覺MS太低端了,也很容易上手,我想學(xué)一個(gè)新的。我看論壇幾乎也都是在討論MS,還有一個(gè)說music。我想問問大神,能幫我解答一下嗎? 發(fā)自小木蟲Android客戶端 |
木蟲 (初入文壇)
鐵桿木蟲 (著名寫手)
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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. |
銀蟲 (小有名氣)
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