Re: [AMBER] Adding OH⁻ in a water box

From: Matias Machado <>
Date: Fri, 11 Oct 2019 17:37:18 -0300 (UYT)

Dear Lucas Bandeira,

I guess you must be using a cubic box for a surface then what about using packmol []?



Researcher at Biomolecular Simulations Lab.
Institut Pasteur de Montevideo | Uruguay

----- Mensaje original -----
De: "Lucas Bandeira" <>
Para: "AMBER Mailing List" <>
Enviados: Viernes, 11 de Octubre 2019 14:11:33
Asunto: [AMBER] Adding OH⁻ in a water box

Dear AMBER community,

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?

Sincerely Yours,

Lucas Bandeira
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