Difference between revisions of "Molecular Dynamcis analysis"
From Bioinformatikpedia
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| + | The Simulation tooked ''6h33:50'' ans the simulation speed was ''36.564 ns/day''. So, to reach 1 second of simulation, we had to wait around ''75061'' years. But this is a bit to long for this Project, so we just used the results we got. |
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| − | NODE (s) Real (s) (%) |
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| − | Time: 23630.116 23630.116 100.0 |
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| − | 6h33:50 |
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| − | (Mnbf/s) (GFlops) (ns/day) (hour/ns) |
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| − | Performance: 858.885 61.248 36.564 0.656 |
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==Mutation 8a [C282Y]== |
==Mutation 8a [C282Y]== |
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Revision as of 11:36, 7 September 2011
by Robert Greil and Cedric Landerer
Contents
Molecular Dynamics analysis
Wildtype
First of all, we checked the resulting file with gmxcheck.
- gmxcheck -f ref_md.tpr.xtc
Result
Reading frame 0 time 0.000 # Atoms 68601 Precision 0.001 (nm) Last frame 2000 time 10000.000 Item #frames Timestep (ps) Step 2001 5 Time 2001 5 Lambda 0 Coords 2001 5 Velocities 0 Forces 0 Box 2001 5
The Simulation tooked 6h33:50 ans the simulation speed was 36.564 ns/day. So, to reach 1 second of simulation, we had to wait around 75061 years. But this is a bit to long for this Project, so we just used the results we got.
Mutation 8a [C282Y]
still waiting to finish // LRZ won't do anything because of LRZ cluster update
Mutation 8b [C282S]
still waiting to finish // LRZ won't do anything because of LRZ cluster update
References
<references />
