[gmx-users] How to calculate number of cholesterol molecules

[Justin Lemkul]

On 6/1/17 4:27 PM, Archana Sonawani-Jagtap wrote:
> Hi,
> 
> I want to perform atomistic simulation in POPC bilayer with 30%
> cholesterol. So I want to know how to calculate number of cholesterol
> molecules for 30% concentration?
> 

Depends on what the percentage means (and often the literature is unclear) - it 
can be mass % or mol % (though typically it's the former).  Either way, it's 
just the fraction of the total mass or total number of moles of lipids.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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