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

[Johnny Lu]

Thanks for the answer!


On Tue, Aug 12, 2014 at 12:00 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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
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