[gmx-users] Equilibration

[Justin A. Lemkul]

bharat gupta wrote:
> Hi,
>  
> I carried out the equilibration step using the npt file given in teh 
> lysozyme tutorial... I have generated the graph for both pressure and 
> density .. I want to know how to analyse such graph ... If the graph 
> fluctuates between certain range of values like the one given in the 
> lysozyme tutorial, does it mean that the system is stable ..
>  

Use g_analyze to extract averages, standard deviation, etc.

> Also wat does the red line present in both pressure and density graph 
> indicates ??
> 

 From the tutorial: "The running average of these data are plotted as the red 
line in the plot"

-Justin

> -- 
> Bharat
> Ph.D. Candidate
> Room No. : 7202A, 2nd Floor
> Biomolecular Engineering Laboratory
> Division of Chemical Engineering and Polymer Science
> Pusan National University
> Busan -609735
> South Korea
> Lab phone no. - +82-51-510-3680, +82-51-583-8343
> Mobile no. - 010-5818-3680
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> 

-- 
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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

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