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We observe that host-guest binding enthalpies are strongly sensitive to the selection of force field and water model. In terms of water models, we find that TIP3P and its derivative Bind3P are the best performing models for this particular host-guest system. The performance is generally better for aliphatic compounds than for aromatic ones, suggesting that aromaticity remains a difficult property to include accurately in these simple force fields.Poor air stability and severe structure pulverization are crucial issues for metal nitrides i

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Ankle sprains are a common cause of morbidity in the general and athletic population. The majority of sprains involve the lateral aspect of the ankle, affecting the anterior talofibular ligament. However, the extent and categories of injury will depend upon the mechanism of injury. The ankle injury caused by ankle sprain is not only the injury of lateral collateral ligaments, but also chondral or osteochondral lesions of the talus, anterior ankle impingement, posterior ankle impingement and so on. In addition to the involveme