[gmx-users] Using Lincs

[Justin Lemkul]

On 1/26/16 9:20 PM, Alireza Moradzadeh wrote:
> Dear Users,
>
> I am using gromacs to simulate Ionic liquid, [BMIM][PF6], inside
> confinement using OPLSA-AA forcefield, I want to know whether using Lincs
> for bonds is correct or not.
>

What does your study of the literature suggest?

-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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