[gmx-users] Force Field for Bilayer Simulations with Cholesterol and Proteins

Justin Lemkul jalemkul at vt.edu
Mon May 5 18:36:31 CEST 2014

On 5/5/14, 11:35 AM, David Ackerman wrote:
> Thank you very much for your response.
> If possible, could you provide a link to the cholesterol you used as well
> as which atom types were changed? I know that for instance atom types HO,
> C6 and CR61 present in the Holtje cholesterol are not present in e.g.
> ffg53a6. Would only those types need to be changed, not all of the CH2s etc?

The files aren't posted publicly, so I can't send you a link, but if you send me 
an email (off-list) I can send you my topology later when I dig it up.



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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