normal How to deal with water in a large system simulation

  • Junb
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7 months 2 weeks ago #9425 by Junb
Dear Martini 3 developer,

I want to build a large lipid self-assembly system within approximately 200-nm cubic box. There will be a huge number of water molecules inside. I wonder what the proper way to deal with these waters which is not important in my simulations.

Is it possible to use another bead type to represent more all-atom waters to become one CG water bead (say instead of standard 4, is it possible to represent 8 or 10 all-atom water)? Or I wonder if dry martini model is available for Martini 3. Thank you so much in advance.

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7 months 2 weeks ago #9426 by riccardo
Interesting idea, but unless you parametrize it yourself, a 8-to-1 (or 10-to-1) bead for water does not exist.
And there's is only no Dry Martini 3, unfortunately.

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