[AMBER] the phosphoric acid group is deformed

From: <yanqiao.zzu.edu.cn>
Date: Wed, 3 Aug 2016 07:40:30 +0800 (CST)

Hi, amber users
    I am doing a simulation for a enzyme-ligand binding complex. The ligand contains a triphosphoric acid group. So I use antechamber to generate its parameters, and everything goes well. However, when I perform minimization and simulations, the end phosphoric acid group is deformed. In pymol, it seems that the three oxygen atoms bonded with each other. I do not know what is the problem, can anyone help me?
Thank you so much!


Yan

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Received on Tue Aug 02 2016 - 17:00:03 PDT
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