Re: [AMBER] query

From: David A Case <>
Date: Thu, 26 May 2016 07:46:29 -0400

On Thu, May 26, 2016, Vasantha Kumar wrote:

> I haven't yet found a correct method to use restraints during MD.

There is no "correct" method. What weight you give to NMR restraints depends
on what use you plan to make of the resulting simulation. I'm not surprised
that you would get "mixed answers from the forum". You might try doing things
both ways and see if there is any signifcant difference.


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Received on Thu May 26 2016 - 05:00:05 PDT
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