Kavyashree M wrote:
Dear users,
Has anyone done simulation with a broken crystal structure?
I know that it can be modeled before simulating. But I just wanted
to know whether any one had done with the crystal structure having
breakage as such without modelling.
You need an intact starting structure to create a reasonable topology and run
any sort of simulation. Missing termini may not be significant, but any atoms
or residues missing within the chain have to be reconstructed.
-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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