Dear all
I'm trying to use the rmsavgcorr in cpptraj for investigating convergence
of simulations.
However I'm not sure in interpreting results.
For both rigid or very flexible proteins the function decays to 0 at the
end of the simulation.
If I add another parts of the simulation the 0 value moves forward and so
on.
Could somebody help me, or suggesting some examples about this analysis
reported in literature ?
Thanks a lot
Jacopo
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Received on Thu Feb 19 2015 - 08:00:02 PST
