Hi,
On Thu, May 19, 2016 at 12:41 PM, Francesco Gentile
<fgentile.ualberta.ca> wrote:
> 1) avoid the fitting during the clustering on the clustered residues
>
> or
>
> 2) get the SSR/SST ratio from cpptraj
Unfortunately neither is possible at the moment. #2 is on my to-do
list but I don't really have a time frame yet. In the meantime you can
use DBI, pseudo-F, and cluster silhouettes to evaluate the results of
clustering from cpptraj.
-Dan
>
> I can use both AmbertTools13 and 14. Any help will be greatly appreciated.
> Cheers
>
> --
> Francesco Gentile
> PhD Student, Biophysics
> CCIS 3-215, Department of Physics
> 7-112, Li Ka Shing Centre for Health Research Innovation
> University of Alberta, Edmonton, AB T6G 2E1
> Canada
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Fri May 27 2016 - 14:00:03 PDT
