normal coarse grained cholic acid

  • esra
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9 years 2 months ago #4533 by esra
coarse grained cholic acid was created by esra
Hello;

I am just a beginner in md simulations. For my study I need to use coarse grained cholic acid. but i have some troubles about preparing it from cholesterol structure file. Is there any chance that somebody has the cholic acid mapping and configuration files? both all atom and coarse grained simulation files would be helpful.

thanks...

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9 years 2 months ago #4536 by siewert
Replied by siewert on topic coarse grained cholic acid
Hi Esra,

we have a topology available for cholate (the salt of cholic acid), you can find it in the

"martini_v2.0_cholesterol_old.itp" file dowloadable from:

md.chem.rug.nl/cgmartini/index.php/force...d-parameters/sterols


Good luck!

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