[gmx-users] Regarding Electrostatic interaction energy

[Justin Lemkul]

On 6/9/16 9:04 AM, Sathish Kumar wrote:
> Hi all,
>  I have calculated electrostatic interaction energy between poly alanine
> peptide and nanomaterial using columb SR term. The nanomaterial has partial
> charges and peptide also. But the calculated electrostatic interaction
> energy with peptide is around 0.3 kJ/mol. Is this values are correct?
>

Why wouldn't it be?

-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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