[gmx-users] vibrating charge

[Justin Lemkul]

On 3/22/15 1:21 AM, abhijit Kayal wrote:
> Dear GROMACS users,
>              Recently I came across a paper where they have mentioned that
> they placed a vibrating charge near CNT surface. The vibrating charge
> satisfies the following relation z(t) = Acos(2*pi*f*t+phi), where A is
> amplitude, f is vibrational frequency and phi is initial phase. So my
> question is how can I incorporate the vibrating charge in gromacs. In this
> paper they performed the simulations in gromacs. Any kind of help is highly
> appreciated.
>   Here is the link of the paper:
>
> http://onlinelibrary.wiley.com/doi/10.1002/anie.201408633/abstract
>

Contact the authors directly to see how they did it.

-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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