[gmx-users] membrane model

[Justin Lemkul]

On 6/19/15 10:52 AM, anu chandra wrote:
> Dear Gromacs users,
>
> I am planing to do a protein simulation in acyl chain united-atom POPC
> membrane model. It will of great help if few of my queries regarding
> setting up the system get answered.
>
> 1. Which force filed will be suitable for united atom (acyl chain) POPC?
> Will CHARMM36 have united atom force filed for POPC?
>

No.  CHARMM36 is an all-atom force field.

> 2. can somebody suggest me a site where I can get united atom membrane
> model of POPC membrane?
>

http://wcm.ucalgary.ca/tieleman/downloads

> 3. Will CHARMM-gui a good option for build the this particular system?
>

Not if you want a united-atom model.

-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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