[gmx-users] Simulated annealing
jayant.james at gmail.com
Fri Feb 27 00:38:48 CET 2009
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?
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