Re: [AMBER] for what kind of post simulation analysis I need to do reweighing?

From: Adrian Roitberg <roitberg.ufl.edu>
Date: Tue, 9 Aug 2016 11:04:05 -0400

reweighing of what ?

Adrian


On 8/9/16 11:01 AM, Thakur, Abhishek wrote:
> Hi
>
> I need help to know that for what kind of post simulation analysis I need to do reweighing?
>
> Is it done for the analysis which include collective variables like PCA only? Or I need to do it for distance, angle, RMSD, RMSF, H bonding etc also?
>
>
>
> Thanking you,
>
> Abhishek
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-- 
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor.
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Tue Aug 09 2016 - 08:30:03 PDT
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