Hi,
On Tue, Mar 5, 2013 at 8:28 PM, Theodosia Teo <theodosiaths.gmail.com> wrote:
> I have developed two models for my protein kinase with different
> temperature; one at 400K and one at 1000K. I also used the exact same
>
> So i just wondering what can I do to have a more stable 400K-model? Does it
Why would you expect your model to be stable at 400K? That is already
past the boiling point of water. Your high RMSD values are not
surprising; your protein is probably falling apart.
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Tue Mar 05 2013 - 21:30:03 PST
