[gmx-users] Generating Glycerol parameters from propanol parameters - OPLS

Justin Lemkul jalemkul at vt.edu
Mon May 26 03:58:29 CEST 2014

On 5/25/14, 5:31 PM, Carlos Navarrro Retamal wrote:
> Hi Dr. Chaban,
> Thanks a lot for your reply.
> I was looking into the OPLS’s folder on gromacs, but i could’n find parameters for any kind of lipids, do you know where can i found them?,

Google finds several papers as top results if you search "glycerol OPLS" 
(without quotes) for both pure glycerol and (more commonly) in various lipids.



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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