jayant james wrote:
Hi!
I have a question with regard to a system that I am attempting to model.
The N-terminal of chain of the protein was not resolved
crystallographically but was later solved by NMR.
Now my plan is to append the NMR structure on to chain A of the protein
and perform simulated annealing only for the appended NMR fragment. To
help it find it biologically relevent orientation in the system I could
also apply distance restraints that I have.
Is this possible in Gromacs?
All except that actual construction part (modeling the two segments together),
yes.
-Justin
thanks
JJ
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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