David,

I can think of many realistic cases when looking at the effects of magnetic fields in MD would be of interest, just not in what Gromacs is normally used for.

It's just a completely different animal in terms of what causes those effects and Lorentz force applied to point charges would likely be a very bad approximation. But in general, an implementation of self-consistent MD+FDTD (i.e. MD + Maxwell's eqns) would be pretty amazing.

Alex



Magnetic fields are typically very weak such that they are negligable in realistic cases. This is why nobody bothered to implement it.


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