[gmx-users] Setting Non-bonded Scaling Constant for Amber FF

[Justin Lemkul]

On 8/12/14, 11:57 AM, Johnny Lu wrote:
> Hi.
>
> I'm a first year PhD student, and wonder if we have to set the equivalent
> of scnb and scee (1-4 nonbond scaling facor for vdw and for electrostatic)
> in the gromacs mdp file when we use the Amber99SB force field in gromacs?
>

You don't.  These values are specified in the [defaults] directive in 
forcefield.itp.

-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 601
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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