Team:EPF-Lausanne/Analysis

From 2009.igem.org

(Difference between revisions)
(RMSF)
(Temperature distribution)
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Using EXCEL, we obtain the following graph, which represents the evolution of the temperature in function of time:
Using EXCEL, we obtain the following graph, which represents the evolution of the temperature in function of time:
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<br><img src="https://static.igem.org/mediawiki/2009/c/cf/Temp%28t%29.png">
+
<br><img src="https://static.igem.org/mediawiki/2009/d/da/Lennard_jones_vdw_forces.jpg">
 +
<img src="https://static.igem.org/mediawiki/2009/thumb/f/f1/Lennard_jones.jpg/300px-Lennard_jones.jpg">
<br>The first part corresponds the the heating, then we let the system reach an equilibrium (NPT state), a NVT portion, and finally a NPT portion again.
<br>The first part corresponds the the heating, then we let the system reach an equilibrium (NPT state), a NVT portion, and finally a NPT portion again.

Revision as of 08:21, 21 September 2009


Analysis of Equilibrium





Scripts

As this page is getting crowded, we created another page to explain all the scripts we wrote. The current page has some kind of step by step tutorials, but if you want fast informations, you better go to the script page.


Examples


Maxwell-Boltzmann Energy Distribution

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Energies

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Temperature distribution

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Density

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Pressure as a function of simulation time

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RMSD for individual residues

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RMSD of selected atoms compared to initial position along time

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Salt bridges

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RMSF

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