If you talk about iRED.....
Since iRED use N-H vector, you don't have to image.
If you want, you can translate.
However DON'T ROTATE. DON'T DO rms fitting like the manual says (fitting is
required for other analysis)
*J Mol Biol*<
http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6WK7-4PSC2F3-3-1&_cdi=6899&_user=2268449&_orig=search&_coverDate=12%2F07%2F2007&_sk=996259995&view=c&wchp=dGLzVlz-zSkzk&md5=03aa63e5d8f632c80e2168663ce257b9&ie=/sdarticle.pdf>374:977-992.
J. Am. Chem. Soc. 124, 4522–4534
On Wed, Jun 18, 2008 at 7:16 AM, E.M. <pckboy.gmail.com> wrote:
> What is IREP?. What are you talking about? paper?
>
> Edu
> fatima.chami.durham.ac.uk wrote:
>
>> Hi folks,
>>
>> do I have to image the md trajectories before aligning them to reference
>> frame when computing the time correlation with IREP approach
>>
>> any help on this...
>>
>> fatima
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>>
>
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--
Best wishes,
Myunggi Yi PhD
==================================
KLB 419
Institute of Molecular Biophysics
Florida State University
Tallahassee, FL 32306
Office: (850) 645-1334
http://www.scs.fsu.edu/~myunggi
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Received on Sun Jun 22 2008 - 06:07:11 PDT
