Dear Amber users,
I was checking the literature about LES when I have come across the paper entitled "Modified Replica Exchange Simulation Methods for Local Structure Refinement", published in J. Chem. Phys. B back in 2005. I find the content very interesting and I'd like to try the PREMD or LREMD described in it for refining some small loops of an homology model, but when I have checked Amber 9 tutorial for those modifications to be implemented in the REMD section, I have not been able to find anything about it.
Are these modifications of the method available in the latest versions of Amber?
Thank you very much.
Almudena
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Received on Tue Apr 05 2011 - 04:30:02 PDT
