Dear Amber users,
I want to estimate the free energy upon unfolding of the C-terminal from the
rest of the protein. I either do a bunch of pulling simulations or do a set
of umbrella simulations with reaction coordinate as the distance between tip
of the C-terminal and point of contact with the protein in the native state.
I don't know which method would be better. Any suggestions are welcomed.
Jose M. Borreguero
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Received on Mon Apr 11 2011 - 14:30:04 PDT
