[gmx-users] Archaeal lipid packages for CHARMM36
jalemkul at vt.edu
Wed Aug 13 19:02:24 CEST 2014
On 8/13/14, 12:22 PM, Wainwright, Josh wrote:
> The lipid I'd like to use is called DPhPG, or officially 2,3-di-O-phytanyl-sn-glycero-1-phosphoryl-3'-sn-glycerol.
A similar lipid, PhPC, is already present in CHARMM36, so generating parameters
for your lipid should be fairly straightforward. Check out the CHARMM force
field files (toppar_all36_lipid_bacterial.str in this case) and/or try ParamChem.
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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