[gmx-users] ionic liquids

Justin Lemkul jalemkul at vt.edu
Mon Jun 30 17:15:31 CEST 2014

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On 6/30/14, 11:10 AM, Andy Chao wrote:
> Dear gromacs users:
> How would we be able to construct a force field for an ionic liquid?
> Is there any methodology or reference that we can study?

There are tons of published papers on ionic liquid simulations.  In concert with 
the information provided in Chapter 5 of the manual, one can rather easily 
implement such custom force fields.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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