[gmx-users] generating a box containing NaOH + water

[Anirban Mudi]

Hi Subhrangshu

Please try packmol

http://www.ime.unicamp.br/~martinez/packmol/

You just need the coordinates of a single molecule of NaOH, water and the
solute to generate the whole system.

let me know if it works for you.

anirban


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