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

From: Jianing <song_jianing_hi.126.com>
Date: Tue, 20 Apr 2010 15:49:14 +0800 (CST)

Thank you very much, Nilov
Jianing



2010-04-19 22:45:22"Dmitry Nilov" <nilovdm.gmail.com> д
>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 Tue Apr 20 2010 - 01:00:04 PDT
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