On 6/7/12 2:55 AM, bipin singh wrote:
Hello All,
I have a doubt regarding -tsham option of g_sham (single histogram analysis).
While using g_sham do we need to mention the temperature at which simulation
were performed or it should be the constant (298.15K) for all analysis ( no
matter at what temperature simulations were performed).
Well, kBT changes with temperature (obviously) so I would think it would note be
useful to construct a free energy surface at 298.15 K if your simulations were
done at a different temperature.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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