Re: [AMBER] how to make active site conserve water unique before loading pdb on xleap?

From: David A Case <david.case.rutgers.edu>
Date: Fri, 8 Jan 2016 09:01:54 -0500

On Thu, Jan 07, 2016, Saman Yousuf ali wrote:

> I want to run MD, but my problem is conserve water of my target protein
> active site. Six conserve water molecules are present in active
> site. When I load complex pdb on xleap, then after adding sovatebox
> and saving prmtop, inpcrd, active site conserve water of my target pdb
> lost. I cant identify them

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   http://archive.ambermd.org/201601/0001.html

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...dac


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