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normal Mapping files for POPE, POPS, and POP2 lipids

  • asghar
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7 years 2 months ago #7106 by asghar
Mapping files for POPE, POPS, and POP2 lipids was created by asghar
Hello,

I can't find the new Mapping files for POPE, POPS, and POP2 lipids at:
www.cgmartini.nl/index.php/force-field-parameters/lipids

Could you please help me to build these Mapping files?

Best,
Asghar

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7 years 2 months ago #7114 by riccardo
Replied by riccardo on topic Mapping files for POPE, POPS, and POP2 lipids
Hi Asghar,

You will have to indeed make the mapping files yourself if they are not available in the Martini lipidome. A good place where to start is the backward tutorial:

cgmartini.nl/index.php/tutorials-general...ction/others#Mapping

and the backward paper: Wassenaar, T. A. et al. JCTC (2014), 10, 676–690. There you can find a detailed explanation about the mapping file syntax.

Then you can start to build the mapping files for the lipids you need. When doing so, I would then take a look at already existing mapping files for (similar) lipids (e.g., DPPC, for which mapping files to 3 different AA force fields are available - not sure how similar/different this lipid is from the ones you need, though).

Riccardo

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  1. Force Fields
  3. Lipids
  5. Mapping files for POPE, POPS, and POP2 lipids
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