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Add analysis protocols to compute other mechanical moduli. #26

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blakeaw opened this issue Mar 12, 2018 · 0 comments
Open

Add analysis protocols to compute other mechanical moduli. #26

blakeaw opened this issue Mar 12, 2018 · 0 comments
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feature Request or suggestion for new feature. help wanted

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@blakeaw
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blakeaw commented Mar 12, 2018

It would be nice to add protocols for the bilayer_analyzer to compute the bending modulus, as well as other moduli like the tilt and twist moduli.
A protocol could be added for the classical Helfrich model based approach (height grid->fourier transform->fitting to power law) to the bending modulus, as well as protocols for the newer approaches in these references:
Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases https://pubs.acs.org/doi/full/10.1021/ct400492e
Determination of Biomembrane Bending Moduli in Fully Atomistic Simulations https://pubs.acs.org/doi/abs/10.1021/ja507910r

@blakeaw blakeaw added the enhancement Request or suggestion for an enhancement to current features or api. label Mar 12, 2018
@blakeaw blakeaw added feature Request or suggestion for new feature. and removed enhancement Request or suggestion for an enhancement to current features or api. labels Sep 19, 2018
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