[gmx-users] convert B-factor

AntonioLeung royaltramp at live.cn
Mon Dec 28 07:52:27 CET 2009


I know how to calculate, and have calculated the RMSF of  two trajectories (of the same molecule), and I want to compare the two RMSFs. I want convert their discrepancy into B-factors. Can you tell me more detailed? 
 
------------------ Original ------------------
From:  "Mark Abraham"<Mark.Abraham at anu.edu.au>;
Date:  Mon, Dec 28, 2009 11:04 AM
To:  "Discussion list for GROMACS users"<gmx-users at gromacs.org>; 

Subject:  Re: [gmx-users] convert B-factor

 
 AntonioLeung wrote:
> Dear all,
> I want to convert the difference of two rmsf data sets into B-factor of 
> a coordinate (to illustrate their difference by coloring the structure 
> by B-factor), can anyone tell me how to do it?

g_rmsf -h

Mark
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