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
Thanks
Abhijit
--
Abhijit kayal
Research Scholar
Theoretical Chemistry
IIT Kanpur
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