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RE: Modelling a "water-free" coarse-grained lipid system

in StemSocial2 years ago

I just noticed that some of the potentials are monotone and that some have a single sign change. Why does this difference exist between for example the 2-3 and 1-3?

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good questions. In fact, I am very glad you asked me this. So think about our three particles in each lipid:

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1 is hydrophilic and 2 and 3 are hydrophobic particles. Like particles interacts strongly and will have a minima. 2-3 interaction(means 2 of one lipid and 3 of another near by lipid) should be also have an attractive term, since both are hydrophobic terms. Think about 1-2 and 1-3 interaction terms now: They should never attract each other. So they will have potentials which mimic repulsion only. No well for them and so they are monotone. Did this clarify your question?