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lipids with the lipidome tutorial
- atefeh.ghlzd
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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??
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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- vainikka
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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.
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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