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normal MAPPING AA lipids

  • cpoojari
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9 years 6 months ago #4110 by cpoojari
MAPPING AA lipids was created by cpoojari
Hi,

I want to convert atomistic lipid to coarse grain using reverse transformation. Is there any script available which can generate mapping section of the AA lipid.


BR,
Chetan

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9 years 6 months ago #4111 by helgi
Replied by helgi on topic MAPPING AA lipids
Hello, hello,

There are a number of ways to do this (and a number of tools).
This is explained in the advanced lipid tutorial
md.chem.rug.nl/cgmartini/index.php/bilayers#Adv-refine

granted this is a rather old way of doing this you could also use the method explained in the Parameterizing a new molecule tutorial
md.chem.rug.nl/cgmartini/index.php/parametrzining-new-molecule

Last you can also use the Backwards tool
md.chem.rug.nl/cgmartini/index.php/others#Backward

It was written to go from CG to AA but can also map in the other direction given the correct mapping files (for each case you would have to construct the AA to CG mapping, either index file or mapping file).

Hope this helps,
Cheers,
- Helgi

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  1. Force Fields
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  5. MAPPING AA lipids
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