[gmx-developers] rmsf units in g_anaeig
r.friedman at bioc.uzh.ch
Tue Jun 16 15:34:32 CEST 2009
Berk Hess wrote:
> Or are you using a matrix from a normal mode analysis?
> In that case I think it is not useful to look at rmsf, you could simply
> look at the vector components.
It may be useful but of course one needs to know kT, which isn't given
in the function.
I think it should be documented that this option doesn't work for NMA. I
guess the entropies should also be calculated differently.
I suggest to add to the documentation that the rmsf and entropy analysis
isn't useful for NMA matrices.
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