[AMBER] How to add metal ions?

From: <zhaoyuanchem.stu.xmu.edu.cn>
Date: Wed, 17 Jul 2013 19:43:11 +0800 (CST)

Dear Amber users.

We want to do some computations about the interaction between the metal ion and a small molecular. MD simulation is the first step. But we dont know how to generate initial files just like prmtop and inpcrd files including metal ion and the molecular. How to add the metal ion into the small molecular? Could anyone help us or give me some examples about this?

We are looking forward to your reply.

Thank you very much for your attention!

Best wishes

Yuan Zhao

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Yuan Zhao
State Key Lab for Phys. Chem. of Solid Surf. 
& Dept. of Chem.
Xiamen University, Xiamen 361005, CHINA
Email: zhaoyuanchem.stu.xmu.edu.cn
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Received on Wed Jul 17 2013 - 05:00:02 PDT
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