Acoot Brett wrote:
Dear All,
I remember before I have read a something on melting the protein from a
predefined starting temperature to a predefined end temperature by MD,
so that after the MD we can look at the whole process to see which part
of the protein unfold earlier, which part of the protein of the protein
unfold earlier. No I cannot find that introduction.
After we equilibriate the protein system, will you please tell me how to
define the temperature gradient from the start temperature to the end
temperature in the mdp file? Or do you have a protocol on it?
See the manual regarding simulated annealing.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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