From: Kenno Vanommeslaeghe (kvanomme_at_rx.umaryland.edu)
Date: Wed Jun 25 2014 - 10:08:11 CDT
The other things is that, unless there is a strong electric field as well,
the effects of any remotely realistic isotropic magnetic field on the
microscopic dynamics of the system are negligible. That is, neglecting
interactions between the field and the electronic structure, which
Molecular Mechanics cannot capture those no matter what.
On 06/24/2014 08:43 PM, Axel Kohlmeyer wrote:
> Indeed this question comes up on multiple mailing lists for different
> classical MD codes, however it seems that the desire to have this feature
> implemented does not translate into a sufficient energy to overcome the
> challenges imposed by the physics of the problem.
>
> Axel
> On Jun 24, 2014 5:54 PM, "Ajasja Ljubetič" <ajasja.ljubetic_at_gmail.com
> <mailto:ajasja.ljubetic_at_gmail.com>> wrote:
> >
> > This has been discussed before (here
> >
> <http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2008-2009/3898.html>
> > and here
> >
> <http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2006-2007/1709.html>).
> > Well, there were no conclusive answers, so I guess the answer is still the
> > same:
> > You would have to implement this yourself, either using TCLForces
> > <http://www.ks.uiuc.edu/Research/namd/2.7b2/ug/node44.html> or preferably
> > tclBC
> >
> <http://www.ks.uiuc.edu/Training/Tutorials/science/forces/forces-tutorial-html/node3.html>
>
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