It could be helpful to look at
http://archive.ambermd.org/200811/0289.html
2010/4/19 Jianing <song_jianing_hi.126.com>
> Dear all,
> I want to add a restraint to my MD simulation like this: at the beginning,
> a reatrsint, 5.0kcal/mol\AA^2 for example, will be put on the protein,
> then the constraint will be slowly switched off during the first 1ns of MD.
> I don't know how to do this. Can someone give a hand to help me out of
> trouble?
> Maybe options in Tutorial A4:NMR refinement could help, but I have no
> experience for doing this.
> Thanks in advance.
> Jianing
>
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--
Dmitry Nilov,
Lomonosov Moscow State University
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Received on Mon Apr 19 2010 - 08:00:02 PDT
