[gmx-users] question

[Justin Lemkul]

On 11/22/16 2:01 PM, ÁLVARO RODRIGO RUIZ FERNÁNDEZ wrote:
> Dear gromacs users:
>
> I need to build a phospholipid bilayer, but for some reason it gets water, I
> think the problem could be solved with the construction of a  plane that
> prevents the passage of water molecules. In short, can GROMACS generate a
> plane that prevents the passage of one type of molecules?.
>

Yes, this can be done with a flat-bottom restraint.  See the manual for 
available options.

-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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