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Tools and methods for analysing MD simulations
Please add other analyses, other methods/programs for performing the same task, etc. * [[Quick view of . . . * [[Calculation of frame-to-frame rmsds]] * [[Variance-covariance and cross-correlation analysis]] . . . * [[Variance-covariance analysis and comparison with experimental . . .
2K - last updated 2007-02-05 10:15 UTC by server.cluster.mbg.gr
Variance-covariance analysis and comparison with experimental results
If you are lucky enough to have a NMR structure deposited with the PDB for your molecule, you can make . . . an interesting comparison between the variance-covariance matrix obtained from the NMR ensemble . . . the MD run has been discussed in detail (see [[Variance-covariance and cross-correlation analysis]]). . . .
2K - last updated 2005-06-15 13:39 UTC by glykos
Variance-covariance and cross-correlation analysis
/carma/ again : carma -v -cov -write CA.psf CA.dcd gv CA.dcd.varcov.ps carma -v -cov -dot -write CA.psf . . . like : [[image: cross-correlation image]] Variance-covariance and correlation images do benefit . . .
3K - last updated 2005-06-30 13:15 UTC by glykos
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