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Asymmetry in the exemplary DOPC structure
- pbuslaev
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8 years 10 months ago #4622
by pbuslaev
Asymmetry in the exemplary DOPC structure was created by pbuslaev
Dear All,
While playing with the exemplary DOPC structure
md.chem.rug.nl/cgmartini/images/applicat...yer/dopc_bilayer.gro
referenced at this page
md.chem.rug.nl/cgmartini/index.php/examp...ons2/lipid-membranes
I've noticed that the bilayer is a little bit asymmetric: where are 65 molecules in one leaflet and 63 in the other.
I'm not sure if this needed to be reported, as it does not appear to have much influence on the properties of the membrane, but perhaps it is important for someone using that model.
While playing with the exemplary DOPC structure
md.chem.rug.nl/cgmartini/images/applicat...yer/dopc_bilayer.gro
referenced at this page
md.chem.rug.nl/cgmartini/index.php/examp...ons2/lipid-membranes
I've noticed that the bilayer is a little bit asymmetric: where are 65 molecules in one leaflet and 63 in the other.
I'm not sure if this needed to be reported, as it does not appear to have much influence on the properties of the membrane, but perhaps it is important for someone using that model.
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- helgi
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8 years 10 months ago #4654
by helgi
Replied by helgi on topic Asymmetry in the exemplary DOPC structure
Thanks, these bilayers were constructed using self-assembly so they can be slightly asymmetrical. Having a small asymmetry in your bilayer will give you slightly different results, so for proper analysis/results I would advise constructing a symmetrical bilayer; for example using insane (see downloads, proteins and bilayers, tools).
Cheers,
- Helgi
Cheers,
- Helgi
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