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
--
==================================================
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
[email protected] | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
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