Re: [AMBER] how to add a gradually reduced restraint

From: Dmitry Nilov <>
Date: Mon, 19 Apr 2010 18:45:22 +0400

It could be helpful to look at

2010/4/19 Jianing <>

> 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
> _______________________________________________
> AMBER mailing list

Dmitry Nilov,
Lomonosov Moscow State University
AMBER mailing list
Received on Mon Apr 19 2010 - 08:00:02 PDT
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