Thank you for your reply.
>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.
But what about the overall negative charge in the OH⁻? It will be add
automatically?
Lucas Bandeira
On Fri, Oct 11, 2019 at 10:45 PM David Case <david.case.rutgers.edu> wrote:
> 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.
>
> ....dac
>
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Received on Sat Oct 12 2019 - 14:30:01 PDT
