[gmx-users] Meaning of delta g in hydrogen bond lifetime column

[Justin Lemkul]

On 12/23/16 6:05 AM, Apramita Chand wrote:
> Dear All,
> Does delta g in hydrogen bond lifetime column mean the enthalpy of breaking
> the hydrogen bond? I understand it might be derived from the rate constants
> specified. But can anyone shed light on its physical significance?
>

DeltaG is the free energy difference, not enthalpy.

-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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