Re: [AMBER] Adding OH⁻ in a water box

From: David Case <>
Date: Sat, 12 Oct 2019 01:45:12 +0000

On Fri, Oct 11, 2019, Lucas Bandeira wrote:
>I'm trying to add OH⁻ íons in a water box so as to see how it adsorbs in a
>charged surface. I've noticed it's not as simple as adding íons such as Na⁺
>or K⁺, or even as simple as adding water molecules, what you can do using
>AddToBox. Can somebody help me to solve this problem?

Why is it not as easy as adding water with AddToBox? You just define a
PDB file with two atoms (for the OH molecule), and use AddToBox in the
usual way. I do that all the time for molecule ions.


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Received on Fri Oct 11 2019 - 19:00:02 PDT
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