From: Faezeh Mottaghitalab (faezeh.mt258_at_gmail.com)
Date: Wed Jun 25 2014 - 15:40:43 CDT
Hello Dr.Kenno
Thanks for your attention
when i was searching about the effect of magnetic field on the protein
structure i also found the same as you say.it seems the effect is negligible
but i doubt that i concluded right or not!
thank you very much for your useful opinion.
On Wed, Jun 25, 2014 at 7:38 PM, Kenno Vanommeslaeghe <
kvanomme_at_rx.umaryland.edu> wrote:
> 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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