[gmx-users] OPLS/AA support for DNA

[Justin Lemkul]

On 3/26/15 8:30 AM, Smith, Micholas D. wrote:
> There was some work on OPLS-AA/L on nucleic acids back in version 3 of GROMACS. The group that did the work has a website where they discuss the nucleic parameters located at:
>
> http://rnp-group.genebee.msu.su/3d/ff.htm
>
> There are likely newer parameters out there for opls, but I haven't looked very hard for them.
>

Anyone heard of anything peer-reviewed?  I know I'm not convinced by 2-ns 
simulations :)

-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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