Date: Wed Jun 27 2007 - 13:24:47 CDT
I would like to be able to compare the abf free energy calculations to other
data generated during the simulation (in particular the dcd file) with the final
goal of being able to graph rmsd v. free energy. Is there something I can put
in my configuration file so that I get an output that has the free energy
calculated at each time step?
Thanks for your time,
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