[AMBER] a question on molecular dynamics simulation

From: Brett <brettliu123.163.com>
Date: Fri, 6 Mar 2015 21:14:35 +0800 (CST)

Dear All,

Suppose I have a very large protein-complex, and I want to do the molecular dynamics simulation of its activation center. If I do the molecular dynamics simulation of the whole, it will cost a lot of calculation. Suppose I only focus on the activation center, I am afraid in fact the part outsides of the activation center has relation with the dynamics simulation of the activation center.

Can you please introduce me the compromising method which take a look on the whole protein compplex but focus on the activation cnter? Can you introduce a tutorial on it to me?

I am looking forward to getting your reply.

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Received on Fri Mar 06 2015 - 05:30:02 PST
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