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gmy1990(金币+2): 2011-06-19 11:14:34
我不懂这个，但以前碰到过：
在google中输入'mdyne/A kcal/mol/A2'，就可得到如下结果
地址：http://www.ks.uiuc.edu/Research/ ... st/namd-l/4598.html
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I get 1 mdyne/A = 143.836 kcal/molA^2
Does this agree with your calculation?
On Sep 5, 2006, at 12:56 PM, Shenoy, Sukesh wrote:
> I am trying to convert the units of force constants from mDyne/A to
> kcal/mol/A2. Does anybody know how to do this? I have done the
> conversion but
> just want to clarify if what i did was right.
>
> Thanks
> Sukesh
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回复此楼
我还没有见过mdyne/A这个单位哦，一般算出来的单位不是a.u吗？a.u和kcal/mol的换算率是627.51，去百度下啦，很容易找到的！^_^ 
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