Thank Dan for your kind answer.
Have a good day
Vince
On Thu, May 26, 2016 at 1:46 PM, David A Case <david.case.rutgers.edu>
wrote:
> 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.
>
> ....dac
>
>
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Received on Thu May 26 2016 - 05:30:03 PDT
