normal lipids with the lipidome tutorial

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3 years 4 months ago #8758 by atefeh.ghlzd
lipids with the lipidome tutorial was created by atefeh.ghlzd
Hello.

I want to know why this simulation has not been started with NVT and NPT?
I want to develop a micelle. Should I do the same as this tutorial, or I have to start with NVT and NPT??

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3 years 4 months ago #8759 by vainikka
Replied by vainikka on topic lipids with the lipidome tutorial
Hi.

You will have to be a bit more specific to which tutorial you are referring to. I couldn't find a single .mdp file in the lipid tutorial which would use a NVT ensemble.

For micelle formation: Unless you are using an implicit solvation model, I do not see any reason to go for NVT.

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