From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Jun 24 2014 - 19:43:42 CDT
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>
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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