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parametes for guluronic acid residues
- gurukatagi
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9 years 10 months ago #3906
by gurukatagi
parametes for guluronic acid residues was created by gurukatagi
Dear all,
I want to do a cg MD simulation of Ca-alginate hydrogel using Martini.
Although, Martinni provides, paramters for different carbohydrate moeoties, I didnt find the paramters for alginate residues [poly-D-guluronic acid]
Can any one let me know how to get the paramters for this guluronic acid and simulate..
thank you
Gurunath
I want to do a cg MD simulation of Ca-alginate hydrogel using Martini.
Although, Martinni provides, paramters for different carbohydrate moeoties, I didnt find the paramters for alginate residues [poly-D-guluronic acid]
Can any one let me know how to get the paramters for this guluronic acid and simulate..
thank you
Gurunath
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- Clement
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9 years 9 months ago #3938
by Clement
Replied by Clement on topic parametes for guluronic acid residues
You'll have to derive the parameters yourself. You can follow a tutorial here:
md.chem.rug.nl/cgmartini/index.php/parametrzining-new-molecule
. Keep us updated!
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