[gmx-users] g_anaeig

[Justin A. Lemkul]

pawan raghav wrote:
> I am postin ths question second time so please solve this issue
> g_anaeig generated numbers of c-alpha or protein structures through -extr
> extreme.pdb. The bash shell show numbers of eigenvector structures starting
> from first to last frames are as follows
> 
> eigenvector           Minimum           Maximum
> 
>                 value       time      value       time
> 
>      1       4.880467    14148.0   7.747218    12501.0
> 
>      2       1.637421    13926.0   4.344063    13110.0
> 
>      3      -0.074393    12567.0   2.745826    14166.0
> 
>      4       0.940240    12618.0   5.181283    14265.0
> 
>      5      -2.760566    14760.0  -0.107564    12789.0
> 
>      6       0.394184    12627.0   2.693520    14997.0
> 
> First column shows vectors, but what are the values in second column? Are
> they represents energy values in kJ/mol in second and fourth column?
> 

A bit of advice: repeated posting of the same question with no additional 
information or evidence that you've tried to learn anything new is generally 
regarded as spam and gets ignored.

Generally, it is a good idea to know what your analysis is doing prior to 
running commands.  It will save you a great deal of stress later trying to sift 
through a mountain of mysterious information.

I had assumed someone would have posted this already, but seeing as they 
haven't, I sifted through my bookmarks and dug up this URL:

http://nmr.chem.uu.nl/~tsjerk/course/molmod/analysis1.html

You should find the end of the PCA section particularly applicable.

-Justin

> -- 
> Pawan
> 

-- 
========================================

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

========================================