[gmx-users] POPC/POPC structures

Justin Lemkul jalemkul at vt.edu
Wed Jul 30 13:19:01 CEST 2014

On 7/29/14, 10:53 PM, Steven Neumann wrote:
> Dear Gmx Users,
> Would someone suggest where I could find strucutre of POPC and POPS lipids
> which once processed by pdb2gmx and Charmm36 would provide me a topology?
> I found many stuctures but atoms are not matching and i have no clue which
> one in the structure coresponds to which one in pdb.

You can get a number of lipids from the Klauda group (who developed CHARMM36), 
so the files are definitely compatible:


They don't have POPS, though, but it should be relatively easy to build.



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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