Difference between revisions of "Molecular Dynamics Simulations Analysis (PKU)"
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==Short Introduction== |
==Short Introduction== |
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| − | We will analyze our completed [[Molecular_Dynamics_Simulations_(PKU)| molecular dynamics simulations]], following the [[Task_10_-_Molecular_Dynamics_Simulations|task description]] and the tutorial of the Utrecht University [http://md.chem.rug.nl/~mdcourse/analysis1.html Molecular Modeling Practical]. We have completed one run for the wildtype protein and for the mutations ALA322GLY and ARG408TRP, a second run of the wildtype is pending. The second run for the wildtype might be necessary as the trajectory of the wildtype differs significantly from both the mutants. |
+ | We will analyze our completed [[Molecular_Dynamics_Simulations_(PKU)| molecular dynamics simulations]], following the [[Task_10_-_Molecular_Dynamics_Simulations|task description]] and the tutorial of the Utrecht University [http://md.chem.rug.nl/~mdcourse/analysis1.html Molecular Modeling Practical]. We have completed one run for the wildtype protein and for the mutations ALA322GLY and ARG408TRP, a second run of the wildtype is pending. The second run for the wildtype might be necessary as the trajectory of the wildtype differs significantly from both the mutants. The commands used to generate plots, images etc. can be found in our [[Task 10 - Journal (PKU)| journal]]. |
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| + | ==Initial Checks== |
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Revision as of 11:00, 11 July 2012
Short Introduction
We will analyze our completed molecular dynamics simulations, following the task description and the tutorial of the Utrecht University Molecular Modeling Practical. We have completed one run for the wildtype protein and for the mutations ALA322GLY and ARG408TRP, a second run of the wildtype is pending. The second run for the wildtype might be necessary as the trajectory of the wildtype differs significantly from both the mutants. The commands used to generate plots, images etc. can be found in our journal.
