[MMTK] Re: MMTK questions

Matias Saavedra matias_saavedra at yahoo.com
Tue Aug 2 00:13:45 CEST 2005

Ok Konrad thanks.

> Deformation energies can be compared between
> proteins. Amplitudes can 
> be as well, though I don't know any application
> where that would be 
> useful.
That would be useful to compare the active site
flexibility of different proteins for example.

> > 2) Can i use the minimized protein to make a
> single
> > mutation and then perform directly a new Normal
> Modes
> > analysis without the need of a new minimization
> step?
> No. Didn't we already discuss this?
Yes, but you said that i could re-use a previously
saved minimized protein system to perform another
Normal Modes analysis, without going back to the PDB
format. But i wanted to know if i can modify that
minimized system (from MMTK) with a single mutation
(as you explained to me) and perform a new Normal
Modes analysis without the need of a new minimization.
Now i see that is not possible.

Thanks again.

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