[gmx-users] Archaeal lipid packages for CHARMM36

Justin Lemkul jalemkul at vt.edu
Tue Aug 12 23:24:10 CEST 2014

On 8/12/14, 2:08 PM, Wainwright, Josh wrote:
> Hello Everybody,
> We have now been running some tests with DPPC using the CHARMM36 forcefield like Justin suggested. We actually want to use archaeal lipids, but the lipidbook website (http://lipidbook.bioch.ox.ac.uk/package/) only seems to have archaeal parameters for Gromos53a6.
> Does anyone know of some arhcaeal lipid parameters for CHARMM36, or how possible it would be for a beginner to add them in?

What are the lipids you're looking for?  Lipid names, not domain of life :)



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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