[gmx-users] Archaeal lipid packages for CHARMM36
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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