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Calculation of frame-to-frame rmsds
NOTE WELL : calculation of the rms deviation between each and every frame of two DCD files can be a lot . . . a procedure known as cluster analysis, see [[Cluster analysis of trajectories]]). . . .
1K - last updated 2005-03-08 09:51 UTC by NMG

Cluster analysis of trajectories
Read the page [[Calculation of frame-to-frame rmsds]] and then come back. So, now you have your *crossDCD.matrix*. . . .
6K - last updated 2005-10-13 11:08 UTC by P.S. Georgoulia

Tools and methods for analysing MD simulations
Please add other analyses, other methods/programs for performing the same task, etc. * [[Quick view of . . . χ1-χ2 plots and residence times)]] * [[Cluster analysis of trajectories]] * [[Secondary structure . . .
2K - last updated 2007-02-05 10:15 UTC by server.cluster.mbg.gr

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