shahab shariati wrote:
Hi all
Simulated annealing consists of heating and gradually cooling steps.
What is maximum temperature that we can use for heating in SA simulation
of protein.
The better question is not if there is a maximum, but rather if whatever you're
doing is necessary and makes sense. Will the force field and/or solvent model
be valid at the temperature you want? Can you get stable integration? You can
set the temperature of the system to be like the surface of the sun if you want,
but there is probably no expectation that it will give meaningful results and
the system will probably collapse, anyway.
Search in the literature for whatever it is you're trying to, since you've yet
to give us any clue as to why you even want to use SA. If you can't establish
precedent for what you want to do, there may be a reason.
-Justin
Any help will highly appreciate.
--
========================================
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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