Hi, I am trying to optimize torsions and angles for a metal cluster
bound to a polypeptide. I am looking for a way to get individual
angle/torsion/bond energy contributions to the total energy of the
system at the end of the minimization routine in Sander; my output
file has only the total energies. Is there a flag I am missing?
Thanks,
Tom Pochapsky
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Received on Sun Jun 04 2006 - 06:07:16 PDT
