[gmx-users] Archaeal lipid packages for CHARMM36

Justin Lemkul jalemkul at vt.edu
Wed Aug 13 20:06:37 CEST 2014

On 8/13/14, 2:02 PM, Wainwright, Josh wrote:
> I'm currently looking in the merged.rpt file but cannot find the lipid (PhPC) you recommended. Am I looking in the right place? Is there somewhere online I could find the lipid?

No, you need the CHARMM force field files themselves.  We didn't port over 


There is a converter there as well that you can probably hack into working (it's 
not designed to handle multi-molecule stream files).  Otherwise, like I said, 
ParamChem is a good bet, and you can produce a Gromacs topology very easily.



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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