[gmx-users] Triglycerides: Berger Lipids and Kukol Lipids

Kindlein, Moritz moritz.kindlein at tum.de
Thu Feb 18 13:48:58 CET 2016

Hi all,

I am currently doing simulations of triglycerides with the Berger parameters. Therefore, I built my topology files based on a phospholipid-file (in my case dppc.itp) from Peter Tielemans homepage (http://wcm.ucalgary.ca/tieleman/downloads). That means, I had to replace all phosphocholine entries of the dppc.itp with a third fatty acid, analogue to the fatty acids already in the file.

Editing the .itp file by hand is quite error-prone... Does anybody of you have a better idea how to do this? Or maybe knows a publication where they did the same and attached the files?

Thank you in advance,


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