[gmx-users] content of secondary structure output file

Justin Lemkul jalemkul at vt.edu
Mon Sep 24 11:50:14 CEST 2012



On 9/24/12 3:31 AM, ahmet yıldırım wrote:
> Dear users,
>
> I am using the command as the following.
> A part of output file (secondary-structure.xvg) is as follows.
> 1.column: time
> 2.column:structure
> 3.column:coil
> ...
> I do not understand the meaning of 2.column.
> What is "structure"? What is the meaning of value there?
>

It tells you in the legend:

@ subtitle "Structure = A-Helix + B-Sheet + B-Bridge + Turn"

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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