[gmx-users] force field

Justin Lemkul jalemkul at vt.edu
Thu May 8 23:07:18 CEST 2014

On 5/8/14, 2:48 PM, elham tazikeh wrote:
> Dear friends
> who knows about force field choosing in zinc ion complex with amyloid beta
> peptide protein???

What does you survey of the literature suggest?  The force field choice is one 
of, if not the single most important choices you will make in performing a 
simulation.  Doing your homework at this stage in your preparation will save you 
a lot of potentially wasted time down the road.



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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