[gmx-users] Magnetic field in GROMACS

Alex nedomacho at gmail.com
Wed Jun 20 10:20:13 CEST 2018


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.


> 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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