[gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane
jalemkul at vt.edu
Thu Oct 11 12:51:47 CEST 2012
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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