Difference between revisions of "Molecular Dynamics Simulations HEXA"
From Bioinformatikpedia
(→Run the MD simulation) |
(→Run the MD simulation) |
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* check the trajectory |
* check the trajectory |
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| + | First of all we checked the trajectory, to see if our simulation finished successfully and the file is not corrupted. |
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gmxcheck -f traj.xtc |
gmxcheck -f traj.xtc |
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Revision as of 10:25, 20 September 2011
Run the MD simulation
Here we want to give a receipt for how to analyse the MD simulation result as we did it in our section.
- check the trajectory
First of all we checked the trajectory, to see if our simulation finished successfully and the file is not corrupted.
gmxcheck -f traj.xtc
Detailed results
- [Wildtype]
- [Mutation 436]
- [Mutation 485]
