Dear Lucas Bandeira,
I guess you must be using a cubic box for a surface then what about using packmol [
http://m3g.iqm.unicamp.br/packmol/home.shtml]?
Best,
Matias
------------------------------------
PhD.
Researcher at Biomolecular Simulations Lab.
Institut Pasteur de Montevideo | Uruguay
[
http://pasteur.uy/en/labs/biomolecular-simulations-laboratory]
[
http://www.sirahff.com]
----- Mensaje original -----
De: "Lucas Bandeira" <bandeiralucas97.gmail.com>
Para: "AMBER Mailing List" <amber.ambermd.org>
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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Received on Fri Oct 11 2019 - 14:00:02 PDT
