unanswered Simulation of lipids and bi-layers in different pHs

  • Junb
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3 years 5 months ago #8744 by Junb
Hi,

I am working on the simulations of lipids and cholesterol (DPPC+DPPG+CHOL) forming bi-layers in different pHs (e.g. pH=5.5 and 6.5 solutions).

May I please know if the protonation needs to be considered in my simulation using MARTINI FF? If that is the case, could you share some information/steps how I can protonate them using MARTINI FF?

Any help and information will be really appreciated!

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