[gmx-users] gas phase force field

[Justin Lemkul]

On 6/23/15 12:45 AM, Swapnil Kate wrote:
> hello,
> Thanks for yours valuable comments,
> So Which force fields do you people recommend to simulate gas phase systems?Can we simulate gas and liquid mixtures in one go?

What does your evaluation of the literature tell you?  Which force fields do 
people use, and how accurate are the data they have obtained?

-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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