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渭水飞熊

木虫 (小有名气)

[求助] Mdynamix 需要计算氢键对体系的影响

最近需要使用Mdynamix软件,需要计算氢键对整个体系的贡献,发现在4.3版本的时候,在moldb文件夹里有氢键的一项,在说明文件中,也显示可以计算氢键,但是默认为关,在输入文件何时何地打开以何种形式打开计算氢键项的开关不明白,不知道哪位大牛曾用过这个软件,知道怎样去计算氢键,或者比较懂这类的软件,希望能够赐教。
       先谢谢啦!!
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