On 10/11/12 5:57 AM, Shima Arasteh wrote:
I visualized the last output mdrun of KALP15-DPPC simulation, the secondary
structure of protein is complete and it seems OK. Can I trust on it and not
care about the visualization of system after inflategro?
That's probably a reasonable conclusion. Sometimes visualization can be
misleading. What you should trust the most is the outcome of the EM during
shrinking of InflateGRO and whether it generates sensible forces.
-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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