Difference between revisions of "Task 10: Molecular Dynamics Analysis"
From Bioinformatikpedia
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| + | === A BRIEF CHECK OF RESULTS === |
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| + | In order to verify that our simulation ran successfully we used the command line tool gmxcheck. we executed it as follows for our .xtc file: |
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| + | <code> |
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| + | gmxcheck -f 1J8U_nosol_after_SCWRL_no_h_merged_crystal_water_md.xtc |
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| + | </code> |
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==P281L== |
==P281L== |
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Revision as of 14:18, 4 September 2011
In this task we are going to analyze the results of the molecular dynamics simulations of task 8. A detailed task description can be found here. The analysis focuses on this tutorial.
Native
A BRIEF CHECK OF RESULTS
In order to verify that our simulation ran successfully we used the command line tool gmxcheck. we executed it as follows for our .xtc file:
gmxcheck -f 1J8U_nosol_after_SCWRL_no_h_merged_crystal_water_md.xtc
